8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0808 |
| Compound Name: | 8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 588.1 |
| Molecular Formula: | C32 H27 Cl F N3 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3831 |
| logD: | 5.3831 |
| logSw: | -5.7663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.392 |
| InChI Key: | XOHMVJQYWXYWSC-UHFFFAOYSA-N |