(4-ethylpiperazin-1-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-9905 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0016 |
| logD: | 3.8254 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.786 |
| InChI Key: | NWZWNIIZMGVFJE-UHFFFAOYSA-N |