10-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9932 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C27 H20 Cl N3 O3 S |
| Smiles: | Cc1cccc(NC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9536 |
| logD: | 4.9527 |
| logSw: | -4.9161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.865 |
| InChI Key: | JYYDHJPFYGHQIC-UHFFFAOYSA-N |