[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9461 |
| Compound Name: | [3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 518.08 |
| Molecular Formula: | C28 H28 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1cccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2917 |
| logD: | 4.161 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.814 |
| InChI Key: | YSMIHRMPOAXUHL-UHFFFAOYSA-N |