ChemSpider 2D Image | E3T5XXY9HX | C35H34ClN5O3S2

E3T5XXY9HX

  • Molecular FormulaC35H34ClN5O3S2
  • Average mass672.259 Da
  • Monoisotopic mass671.179138 Da
  • ChemSpider ID64853683

More details:

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

17-Chlor-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30(35),31,33-tr 
idecaen-23-carbonsäure [German] [ACD/IUPAC Name]
17-Chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30(35),31,33-t 
ridecaene-23-carboxylic acid [ACD/IUPAC Name]
2143061-81-6 [RN]
2143061-82-7 [RN]
22H-9,4,8-(Metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid, 5-chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-, (3aS)-
Acide 17-chloro-5,13,14,22-tétraméthyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30(35),3 1,33-tridécaène-23-carboxylique [French] [ACD/IUPAC Name]
E3T5XXY9HX
2143010-83-5 [RN]
2143061-81-6 (free base)
AZD5991
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.1±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 186.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 138 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 472.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement