10-[(3-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3638 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[(2,4-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(CNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.7193 |
| logD: | 6.7193 |
| logSw: | -6.1495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.988 |
| InChI Key: | YMAHVJOXKNVAEB-UHFFFAOYSA-N |