N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-5629 |
| Compound Name: | N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C18 H17 N3 O3 |
| Smiles: | Cn1cc(CNC(C2=Cc3cccc(CC=C)c3OC2=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7727 |
| logD: | 1.7726 |
| logSw: | -2.1283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.067 |
| InChI Key: | RBELOIVCOQXEHP-UHFFFAOYSA-N |