(4-ethylpiperazin-1-yl)[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-3886 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C21 H31 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(C(C)C)n2CC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3892 |
| logD: | 2.213 |
| logSw: | -2.3484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.422 |
| InChI Key: | ZUQRUHVCJOCHQR-UHFFFAOYSA-N |