4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
Chemical Structure Depiction of
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
Compound characteristics
| Compound ID: | C059-0399 |
| Compound Name: | 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide |
| Molecular Weight: | 487.99 |
| Molecular Formula: | C21 H18 Cl N5 O3 S2 |
| Smiles: | CN1\C(=N/C(c2ccc(cc2)S(N(CCC#N)CCC#N)(=O)=O)=O)Sc2cccc(c12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4063 |
| logD: | 2.4063 |
| logSw: | -3.0542 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.04 |
| InChI Key: | IRGJPOSFLOYHKW-UHFFFAOYSA-N |