(4-ethylpiperazin-1-yl)[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-8000 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 519.69 |
| Molecular Formula: | C27 H29 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccs2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.525 |
| logD: | 4.3488 |
| logSw: | -4.2389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.46 |
| InChI Key: | MHNPAPAXGAMQEP-UHFFFAOYSA-N |