10-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3503 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 545.06 |
| Molecular Formula: | C30 H25 Cl N2 O4 S |
| Smiles: | COc1ccc(c(CNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.6391 |
| logD: | 6.6391 |
| logSw: | -6.1329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.988 |
| InChI Key: | VRRMFONSMKHFBM-UHFFFAOYSA-N |