8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1070 |
| Compound Name: | 8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 590.07 |
| Molecular Formula: | C31 H25 Cl F N3 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9251 |
| logD: | 4.9251 |
| logSw: | -5.0132 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.289 |
| InChI Key: | UKQCAZXUDYXALD-UHFFFAOYSA-N |