[3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V004-8630 |
| Compound Name: | [3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1cccc(CSc2nnc(Cc3ccccc3)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9366 |
| logD: | 2.8059 |
| logSw: | -3.2962 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.32 |
| InChI Key: | VJLUPPOGSQQHIR-UHFFFAOYSA-N |