N-benzyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0583 |
| Compound Name: | N-benzyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 502.99 |
| Molecular Formula: | C28 H20 Cl F N2 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3197 |
| logD: | 6.3197 |
| logSw: | -6.1354 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.814 |
| InChI Key: | BJTKQBONQWWFQO-UHFFFAOYSA-N |