(4-ethylpiperazin-1-yl)[2-({[4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-8017 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 453.63 |
| Molecular Formula: | C23 H27 N5 O S2 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccs2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7963 |
| logD: | 3.6201 |
| logSw: | -3.7509 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.423 |
| InChI Key: | BBYDTZYARRWHBQ-UHFFFAOYSA-N |