10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-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}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1169 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 630.71 |
| Molecular Formula: | C34 H32 F2 N4 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.4797 |
| logD: | 4.1784 |
| logSw: | -4.2662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.578 |
| InChI Key: | PJYLVERCUXNWHK-UHFFFAOYSA-N |