[3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V030-1400 |
| Compound Name: | [3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C30 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(Cc3ccccc3)n2c2ccc(cc2)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0101 |
| logD: | 3.8339 |
| logSw: | -4.1541 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.417 |
| InChI Key: | LIMHVHUURDOBCG-UHFFFAOYSA-N |