10-benzyl-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1496 |
| Compound Name: | 10-benzyl-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C27 H21 N3 O3 S |
| Smiles: | C(c1ccccn1)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1953 |
| logD: | 3.1952 |
| logSw: | -3.8343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.741 |
| InChI Key: | PBFZIUXAKHXXJL-UHFFFAOYSA-N |