(2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(4-ethylpiperazin-1-yl)methanone
(2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V004-8616 |
| Compound Name: | (2-{[(4,5-dibenzyl-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(c1ccccc1CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6611 |
| logD: | 4.4849 |
| logSw: | -4.4195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.13 |
| InChI Key: | XYUZSKWMKCOJQW-UHFFFAOYSA-N |