(4-ethylpiperazin-1-yl)[4-({[4-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V025-5499 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C28 H27 F N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccc(cc2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1417 |
| logD: | 3.9655 |
| logSw: | -4.0072 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.279 |
| InChI Key: | NWQDDEWHXBUTJI-UHFFFAOYSA-N |