N-(3-chloro-4-methoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-chloro-4-methoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0181 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C21 H15 Cl N2 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9107 |
| logD: | 4.9016 |
| logSw: | -5.0096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.897 |
| InChI Key: | ULGAVHSMAHKZSX-UHFFFAOYSA-N |