ChemSpider 2D Image | (2S)-3-(4-Amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazino}propanoic acid | C18H15Cl2N5O4S

(2S)-3-(4-Amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazino}propanoic acid

  • Molecular FormulaC18H15Cl2N5O4S
  • Average mass468.314 Da
  • Monoisotopic mass467.022186 Da
  • ChemSpider ID35035053

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-(4-Amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazino}propanoic acid [ACD/IUPAC Name]
(2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
(2S)-3-(4-Amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorphenyl)-1,3-thiazol-2-yl]hydrazino}propansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-(4-amino-3-nitrophényl)-2-{2-[4-(3,4-dichlorophényl)-1,3-thiazol-2-yl]hydrazino}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-amino-α-[2-[4-(3,4-dichlorophenyl)-2-thiazolyl]hydrazinyl]-3-nitro-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 714.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction: 1.727
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 26.82
ACD/KOC (pH 5.5): 149.28
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.62
Polar Surface Area: 174 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 292.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement