[4-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-8284 |
| Compound Name: | [4-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 511.69 |
| Molecular Formula: | C30 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(Cc3ccccc3)n2c2ccccc2C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1789 |
| logD: | 4.0027 |
| logSw: | -4.0636 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.573 |
| InChI Key: | ZYQDAASCQMWMOE-UHFFFAOYSA-N |