10-[(4-chlorophenyl)methyl]-N-{3-[4-(4-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-[(4-chlorophenyl)methyl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-{3-[4-(4-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: | C530-1040 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-{3-[4-(4-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: | 647.17 |
| Molecular Formula: | C34 H32 Cl F N4 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)CN1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.9061 |
| logD: | 4.3622 |
| logSw: | -4.9124 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.879 |
| InChI Key: | YUHFNNBQUBIYII-UHFFFAOYSA-N |