(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-5573 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[5-(methoxymethyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(COC)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3706 |
| logD: | 2.1944 |
| logSw: | -2.6073 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.899 |
| InChI Key: | QRHAAWOTQNLUDI-UHFFFAOYSA-N |