[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V025-5289 |
| Compound Name: | [4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 548.11 |
| Molecular Formula: | C29 H30 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3cccc(c3)OC)n2c2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8561 |
| logD: | 4.6799 |
| logSw: | -4.8537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.441 |
| InChI Key: | PWCAYHNZYJAORS-UHFFFAOYSA-N |