N-{3-[ethyl(3-methylphenyl)amino]propyl}-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0890 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 569.7 |
| Molecular Formula: | C33 H32 F N3 O3 S |
| Smiles: | CCN(CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2829 |
| logD: | 5.2546 |
| logSw: | -5.0673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | RAOJQFOMGACBJM-UHFFFAOYSA-N |