ChemSpider 2D Image | 2,4-Dichloro-N-(3-Cyano-4,5,6,7-Tetrahydro-Benzothiophen-2yl)-5-(Morpholine-4-Sulfonyl)-Benzamide | C20H19Cl2N3O4S2

2,4-Dichloro-N-(3-Cyano-4,5,6,7-Tetrahydro-Benzothiophen-2yl)-5-(Morpholine-4-Sulfonyl)-Benzamide

  • Molecular FormulaC20H19Cl2N3O4S2
  • Average mass500.419 Da
  • Monoisotopic mass499.019409 Da
  • ChemSpider ID956842

More details:

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

2,4-Dichlor-N-(3-cyan-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-morpholinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
2,4-Dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-morpholinylsulfonyl)benzamide [ACD/IUPAC Name]
2,4-Dichloro-N-(3-cyano-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-5-(4-morpholinylsulfonyl)benzamide [French] [ACD/IUPAC Name]
2,4-Dichloro-N-(3-Cyano-4,5,6,7-Tetrahydro-Benzothiophen-2yl)-5-(Morpholine-4-Sulfonyl)-Benzamide
Benzamide, 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-(4-morpholinylsulfonyl)- [ACD/Index Name]
1LG
2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(4-morpholinylsulfonyl)benzamide
313685-57-3 [RN]
5913-77-9 [RN]
CHEMBL327236
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00604014 [DBID]
BIM-0036751.P001 [DBID]
CBMicro_036672 [DBID]
CDS1_004928 [DBID]
DivK1c_005968 [DBID]
ZINC00862376 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 788.03
ACD/KOC (pH 5.5): 4120.44
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 787.09
ACD/KOC (pH 7.4): 4115.55
Polar Surface Area: 136 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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