(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-5619 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C22 H33 N5 O3 S |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(COC)n1C(C)COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4041 |
| logD: | 1.2279 |
| logSw: | -2.2714 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.181 |
| InChI Key: | CNSJCYXPHUORDM-KRWDZBQOSA-N |