[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-5014 |
| Compound Name: | [4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 500.06 |
| Molecular Formula: | C25 H30 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[Cl])n2CCOC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0337 |
| logD: | 2.8575 |
| logSw: | -3.7056 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.747 |
| InChI Key: | IFDNTHIMOXQAQM-UHFFFAOYSA-N |