[3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-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-methylpiperazin-1-yl)methanone
[3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9477 |
| Compound Name: | [3-({[4-(3-chlorophenyl)-5-(4-methylphenyl)-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: | Cc1ccc(cc1)c1nnc(n1c1cccc(c1)[Cl])SCc1cccc(c1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0822 |
| logD: | 4.9515 |
| logSw: | -5.3781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.837 |
| InChI Key: | SDAMIUXKZSTUJS-UHFFFAOYSA-N |