[4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-9564 |
| Compound Name: | [4-({[4,5-bis(4-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(c3ccc(C)cc3)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0337 |
| logD: | 4.8575 |
| logSw: | -4.4788 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.897 |
| InChI Key: | XFGFADHUWQASJE-UHFFFAOYSA-N |