[4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-6041 |
| Compound Name: | [4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 532.11 |
| Molecular Formula: | C29 H30 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[Cl])n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6246 |
| logD: | 4.4484 |
| logSw: | -4.7597 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.154 |
| InChI Key: | BXUFEMYMTWTJPS-UHFFFAOYSA-N |