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942142-51-0

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Basic Information
CAS No.: 942142-51-0
Name: CARBAMIC ACID, N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]-, METHYL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 942142-51-0 (CARBAMIC ACID, N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]-, METHYL ESTER)
Formula: C26H41ClN4O5
Molecular Weight: 525.088
Synonyms: methyl (2;Methyl-(2;LogP
Density: 1.178 g/cm3
Boiling Point: 703.1 °C at 760 mmHg
Flash Point: 379 °C
PSA: 101.16000
LogP: 4.69060
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Specification

The VTP-27999 ,its cas register number is 942142-51-0.The Systematic name about this chemical is methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate .

Following are the chemical properties about VTP-27999 :(1)#H bond acceptors: 9 ; (2)#H bond donors: 3 ; (3)#Freely Rotating Bonds: 12 ; (4)Polar Surface Area: 74.79Å2 ; (5)Index of Refraction: 1.537 ; (6)Molar Refractivity: 139.26 cm3 ; (7)Molar Volume: 445.5 cm3 ; (8)Polarizability: 55.2X10-24cm3 ; (9)Surface Tension: 45.5 dyne/cm ; (10)Enthalpy of Vaporization: 102.89 kJ/mol ; (11)Vapour Pressure: 1.29E-19 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: Clc1cccc(c1)[C@H](OCCNC(=O)OC)[C@@H]3CCCN(C(=O)NC[C@@H](NC)C[C@@H]2COCCC2)C3
(2)InChI: InChI=1/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
(3)InChIKey: NXWASIVXQMMPLM-ZXMXYHOLBF
(4)Std. InChI: InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
(5)Std. InChIKey: NXWASIVXQMMPLM-ZXMXYHOLSA-N