10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8590 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-[(pyridin-3-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(c1cccnc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6624 |
| logD: | 3.6623 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.312 |
| InChI Key: | IGJIGJXMPOVWLZ-UHFFFAOYSA-N |