[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-7445 |
| Compound Name: | [4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 514.09 |
| Molecular Formula: | C26 H32 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[Cl])n2C(C)COC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.229 |
| logD: | 3.0527 |
| logSw: | -3.7949 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.51 |
| InChI Key: | HKQLCOBJPVESSZ-IBGZPJMESA-N |