N-(5-chloro-2,4-dimethoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0019 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C22 H17 Cl N2 O4 S |
| Smiles: | COc1cc(c(cc1NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.8971 |
| logD: | 4.6963 |
| logSw: | -5.0252 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.83 |
| InChI Key: | XJESPIWSUHCNSI-UHFFFAOYSA-N |