[3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9536 |
| Compound Name: | [3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 532.11 |
| Molecular Formula: | C29 H30 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(c3ccc(C)cc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.427 |
| logD: | 5.2508 |
| logSw: | -5.8893 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.897 |
| InChI Key: | DNWJTDQYOCMNEX-UHFFFAOYSA-N |