1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one
1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one
Compound characteristics
| Compound ID: | V024-4557 |
| Compound Name: | 1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 574.14 |
| Molecular Formula: | C31 H32 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[Cl])=O)C(CCCSc1nnc(c2ccccc2)n1c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6467 |
| logD: | 5.6467 |
| logSw: | -5.8929 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.479 |
| InChI Key: | NPTABVALVLEXAW-QHCPKHFHSA-N |