10-[(4-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0536 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-(2-cyanoethyl)-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C25 H20 Cl N3 O3 S |
| Smiles: | CN(CCC#N)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7101 |
| logD: | 2.7101 |
| logSw: | -3.7774 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.677 |
| InChI Key: | UONGRBSAQBNDKK-XIFFEERXSA-N |