N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y500-4065 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C16 H18 N4 O5 |
| Smiles: | CC(Cn1c(C)cc(n1)[N+]([O-])=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6739 |
| logD: | 0.6737 |
| logSw: | -2.0828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.198 |
| InChI Key: | FGUMZOZCGWQGCL-JTQLQIEISA-N |