10-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7147 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C26 H18 Cl F N2 O3 S |
| Smiles: | C(c1ccco1)NC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3197 |
| logD: | 6.3197 |
| logSw: | -6.1401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.563 |
| InChI Key: | ZSMHSSVSAGSKLZ-UHFFFAOYSA-N |