(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V025-8836 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C25 H30 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2CCOC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1797 |
| logD: | 2.0035 |
| logSw: | -2.6343 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.827 |
| InChI Key: | ROXTYXZVYDATPN-UHFFFAOYSA-N |