N-(2-cyanoethyl)-10-[(2,5-dimethylphenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-10-[(2,5-dimethylphenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-cyanoethyl)-10-[(2,5-dimethylphenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1328 |
| Compound Name: | N-(2-cyanoethyl)-10-[(2,5-dimethylphenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N(C)CCC#N)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.291 |
| logD: | 3.291 |
| logSw: | -3.7091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.273 |
| InChI Key: | WLIZNTSLCNHGAD-UHFFFAOYSA-N |