10-[(2-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-3118 |
| Compound Name: | 10-[(2-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C25 H20 Cl N3 O2 S |
| Smiles: | CN(CCC#N)C(c1ccc2c(c1)N(Cc1ccccc1[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3384 |
| logD: | 4.3384 |
| logSw: | -4.4768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.293 |
| InChI Key: | FIIBGOXAARWINL-UHFFFAOYSA-N |