2-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-5-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
Chemical Structure Depiction of
2-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-5-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
2-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-5-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
Compound characteristics
| Compound ID: | 0385-0638 |
| Compound Name: | 2-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-5-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide |
| Molecular Weight: | 504.03 |
| Molecular Formula: | C22 H22 Cl N5 O3 S2 |
| Smiles: | C1CCC(CC1)N(CCC#N)C(c1cc(ccc1NS(c1cccc2c1nsn2)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4445 |
| logD: | 1.1868 |
| logSw: | -4.6474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.069 |
| InChI Key: | CUBZNNBHLBJGSG-UHFFFAOYSA-N |