ChemSpider 2D Image | 2-(4-{(Z)-[(2-{Benzyl[(4-chlorophenyl)sulfonyl]amino}-1-hydroxyethylidene)hydrazono]methyl}phenoxy)-N-isopropylethanimidic acid | C27H29ClN4O5S

2-(4-{(Z)-[(2-{Benzyl[(4-chlorophenyl)sulfonyl]amino}-1-hydroxyethylidene)hydrazono]methyl}phenoxy)-N-isopropylethanimidic acid

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID57279792

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-{(Z)-[(2-{Benzyl[(4-chlorophenyl)sulfonyl]amino}-1-hydroxyethylidene)hydrazono]methyl}phenoxy)-N-isopropylethanimidic acid [ACD/IUPAC Name]
2-(4-{(Z)-[(2-{Benzyl[(4-chlorphenyl)sulfonyl]amino}-1-hydroxyethyliden)hydrazono]methyl}phenoxy)-N-isopropylethanimidsäure [German] [ACD/IUPAC Name]
Acide 2-(4-{(Z)-[(2-{benzyl[(4-chlorophényl)sulfonyl]amino}-1-hydroxyéthylidène)hydrazono]méthyl}phénoxy)-N-isopropyléthanimidique [French] [ACD/IUPAC Name]
Ethanehydrazonic acid, 2-[[(4-chlorophenyl)sulfonyl](phenylmethyl)amino]-N-[(1Z)-[4-[2-hydroxy-2-[(1-methylethyl)imino]ethoxy]phenyl]methylene]- [ACD/Index Name]
2-[BENZYL-(4-CHLOROPHENYL)SULFONYLAMINO]-N-[(Z)-[4-[2-OXO-2-(PROPAN-2-YLAMINO)ETHOXY]PHENYL]METHYLIDENEAMINO]ACETAMIDE
2-{4-[(1Z)-{[2-(N-BENZYL4-CHLOROBENZENESULFONAMIDO)ACETAMIDO]IMINO}METHYL]PHENOXY}-N-(PROPAN-2-YL)ACETAMIDE
2-{4-[(1Z)-{[2-(N-BENZYL4-CHLOROBENZENESULFONAMIDO)ACETAMIDO]IMINO}METHYL]PHENOXY}-N-ISOPROPYLACETAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.2±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 10.66
ACD/KOC (pH 5.5): 37.44
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 46.15
Polar Surface Area: 133 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 434.9±7.0 cm3

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