N-[2-(4-chlorophenyl)ethyl]-10-[(4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-10-[(4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-10-[(4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1965 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-10-[(4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C29 H22 Cl F N2 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4016 |
| logD: | 6.4016 |
| logSw: | -6.3106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.655 |
| InChI Key: | IXUSFBPUTZNEFA-UHFFFAOYSA-N |