10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0773 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 614.71 |
| Molecular Formula: | C34 H32 F2 N4 O3 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.35 |
| logD: | 4.0488 |
| logSw: | -4.2149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.981 |
| InChI Key: | OZEZLTYWBVFAOW-UHFFFAOYSA-N |