10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0968 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 517.99 |
| Molecular Formula: | C27 H20 Cl N3 O4 S |
| Smiles: | C(c1ccccn1)NC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9196 |
| logD: | 3.9195 |
| logSw: | -4.4284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.337 |
| InChI Key: | NHNAZTHSOBCTKP-UHFFFAOYSA-N |