10-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0144 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 520.97 |
| Molecular Formula: | C27 H18 Cl F N2 O4 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1ccc(cc1)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2533 |
| logD: | 5.2505 |
| logSw: | -5.6191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.472 |
| InChI Key: | XWYFJRSVXBMVKJ-UHFFFAOYSA-N |