10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7118 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 452.93 |
| Molecular Formula: | C24 H18 Cl F N2 O2 S |
| Smiles: | C=CCNC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3987 |
| logD: | 5.3987 |
| logSw: | -5.8205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | HYJZJBLVKLDYAL-UHFFFAOYSA-N |