10-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3498 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C30 H25 Cl N2 O3 S |
| Smiles: | CCOc1ccc(CNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8079 |
| logD: | 6.8079 |
| logSw: | -6.1132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.937 |
| InChI Key: | HBLALYJWFGATPI-UHFFFAOYSA-N |