[3-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[3-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-3804 |
| Compound Name: | [3-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C29 H31 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccc(C)cc1)SCc1cccc(c1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8969 |
| logD: | 4.7662 |
| logSw: | -4.6309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.837 |
| InChI Key: | ODRCSXXPLCNKCT-UHFFFAOYSA-N |