10-benzyl-5,11-dioxo-N-[(pyridin-3-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-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-5,11-dioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1497 |
| Compound Name: | 10-benzyl-5,11-dioxo-N-[(pyridin-3-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(c1cccnc1)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8774 |
| logD: | 2.8773 |
| logSw: | -3.724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.716 |
| InChI Key: | CNCFODXQQLFJOR-UHFFFAOYSA-N |