N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1181 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 557.64 |
| Molecular Formula: | C31 H28 F N3 O4 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7718 |
| logD: | 4.7711 |
| logSw: | -4.4042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.626 |
| InChI Key: | UHZWBXHIZSEWJJ-UHFFFAOYSA-N |