4-[bis(2-chloroethyl)sulfamoyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
4-[bis(2-chloroethyl)sulfamoyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
4-[bis(2-chloroethyl)sulfamoyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | 8016-6822 |
| Compound Name: | 4-[bis(2-chloroethyl)sulfamoyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 486.44 |
| Molecular Formula: | C20 H21 Cl2 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc(cc1)S(N(CC[Cl])CC[Cl])(=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1371 |
| logD: | 1.0263 |
| logSw: | -4.4344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.705 |
| InChI Key: | LKCBQKLSKRTVFB-UHFFFAOYSA-N |