[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-3888 |
| Compound Name: | [4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(C)cc1)SCc1ccc(cc1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4259 |
| logD: | 3.2952 |
| logSw: | -3.5379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.109 |
| InChI Key: | VXLIVHUMMMEQOG-UHFFFAOYSA-N |