N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2636 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C14 H10 N4 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1c(c[nH]n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6492 |
| logD: | 1.2916 |
| logSw: | -2.6134 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.279 |
| InChI Key: | XFBVGVUBKFZNOI-UHFFFAOYSA-N |