2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)benzamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)benzamide
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)benzamide
Compound characteristics
| Compound ID: | Y502-2217 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)benzamide |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1ccccc1Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1378 |
| logD: | 3.1141 |
| logSw: | -3.8184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.798 |
| InChI Key: | YDYVQFZVLHNGAK-UHFFFAOYSA-N |