(4-ethylpiperazin-1-yl)[3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-8406 |
| Compound Name: | (4-ethylpiperazin-1-yl)[3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 503.69 |
| Molecular Formula: | C27 H29 N5 O S2 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(c3cccs3)n2c2ccccc2C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4743 |
| logD: | 4.2981 |
| logSw: | -4.212 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.615 |
| InChI Key: | KZFYFXQMSWUVQS-UHFFFAOYSA-N |