10-[(4-fluorophenyl)methyl]-N-{2-[methyl(2-phenylethyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-N-{2-[methyl(2-phenylethyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-fluorophenyl)methyl]-N-{2-[methyl(2-phenylethyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0921 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-N-{2-[methyl(2-phenylethyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C32 H30 F N3 O3 S |
| Smiles: | CN(CCc1ccccc1)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9698 |
| logD: | 3.6248 |
| logSw: | -4.1357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.112 |
| InChI Key: | HVHIFYIQKQNUQM-UHFFFAOYSA-N |