N-[(4-chlorophenyl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-chlorophenyl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-4575 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-10-[(3-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(c1ccc(cc1)[Cl])NC(c1ccc2c(c1)N(Cc1cccc(c1)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5611 |
| logD: | 6.5611 |
| logSw: | -6.4138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.814 |
| InChI Key: | XOLSMZKIJRAPNA-UHFFFAOYSA-N |