N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0785 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 541.64 |
| Molecular Formula: | C31 H28 F N3 O3 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6422 |
| logD: | 4.6414 |
| logSw: | -4.2824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | DDKLKOVUKNCLBM-UHFFFAOYSA-N |