(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V003-3483 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 558.66 |
| Molecular Formula: | C29 H30 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8895 |
| logD: | 3.7133 |
| logSw: | -3.9443 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.609 |
| InChI Key: | WOMZKGHVTOYKGY-UHFFFAOYSA-N |