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208255-51-0

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Basic Information
CAS No.: 208255-51-0
Name: DAPM
Article Data: 2
Molecular Structure:
Molecular Structure of 208255-51-0 (DAPM)
Formula: C20H20F2N2O4
Molecular Weight: 390.387
Synonyms: Methyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)ethanoate;
Density: 1.272 g/cm3
Boiling Point: 601.017 °C at 760 mmHg
Flash Point: 317.284 °C
PSA: 84.50000
LogP: 2.82430
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Specification

The 3,5-Difluorophenylacetyl-Ala-Phg-OMe is an organic compound with the formula C20H20F2N2O4. The systematic name of this chemical is Methyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)ethanoate. The CAS registry number of this chemical is 208255-51-0. Besides, its molecular weight is 390.38.

The physical properties of 3,5-Difluorophenylacetyl-Ala-Phg-OMe are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 73; (5)ACD/BCF (pH 7.4): 73; (6)ACD/KOC (pH 5.5): 751; (7)ACD/KOC (pH 7.4): 751; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 84.5 Å2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 97.06 cm3; (14)Molar Volume: 306.891 cm3; (15)Polarizability: 38.477×10-24 cm3; (16)Surface Tension: 45.214 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 317.284 °C; (19)Enthalpy of Vaporization: 89.446 kJ/mol; (20)Boiling Point: 601.017 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)CC(=O)N[C@H](C(=O)N[C@@H](c2ccccc2)C(=O)OC)C
(2)InChI: InChI=1/C20H20F2N2O4/c1-12(23-17(25)10-13-8-15(21)11-16(22)9-13)19(26)24-18(20(27)28-2)14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,23,25)(H,24,26)/t12-,18-/m0/s1
(3)InChIKey: XAPDRNSTUYCSQC-SGTLLEGYBD
(4)Std. InChI: InChI=1S/C20H20F2N2O4/c1-12(23-17(25)10-13-8-15(21)11-16(22)9-13)19(26)24-18(20(27)28-2)14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,23,25)(H,24,26)/t12-,18-/m0/s1
(5)Std. InChIKey: XAPDRNSTUYCSQC-SGTLLEGYSA-N