[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V028-2042 |
| Compound Name: | [4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C24 H28 N6 O4 S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2CCOC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.383 |
| logD: | 2.2523 |
| logSw: | -2.4742 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.068 |
| InChI Key: | QHSNLVYGCHKMPR-UHFFFAOYSA-N |