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CAS No.: | 446292-08-6 |
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Name: | 1H-ISOINDOLE-1,3(2H)-DIONE, 2-[[(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL)PHENYL]-5-OXAZOLIDINYL]METHYL]- |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C22H19N3O6 |
Molecular Weight: | 421.409 |
Synonyms: | 4-[4-[(5S)-5-PhthaliMidoMethyl-2-oxo-3-oxazolidinyl]phenyl]-3-Morpholinone; |
EINECS: | 610-201-0 |
Density: | 1.466 g/cm3 |
Melting Point: | 250 |
Boiling Point: | 702.933 °C at 760 mmHg |
Flash Point: | 378.92 °C |
Solubility: | 12mg/L at 20℃ |
Appearance: | White solid |
PSA: | 96.46000 |
LogP: | 1.73910 |
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Molecular Structure of 1H-Isoindole-1,3(2H)-dione,2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]- (CAS NO.446292-08-6):
Systematic Name: 2-({(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione
SMILES: O=C2c1ccccc1C(=O)N2C[C@@H]5OC(=O)N(c4ccc(N3C(=O)COCC3)cc4)C5
InChI: InChI=1/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
InChIKey: KUQNYAUTIWQAKY-MRXNPFEDBM
Empirical Formula: C22H19N3O6
Molecular Weight: 421.4028
Nominal Mass: 421
Average Mass: 421.4028
Monoisotopic Mass: 421.127385
H bond acceptors: 9
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.658
Molar Refractivity: 105.856 cm3
Molar Volume: 287.517 cm3
Surface Tension: 67.602 dyne/cm
Density: 1.466 g/cm3
Flash Point: 378.92 °C
Enthalpy of Vaporization: 102.871 kJ/mol
Boiling Point: 702.933 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
1H-Isoindole-1,3(2H)-dione,2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]- (CAS NO.446292-08-6), its Synonym is 2-({(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione .