N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2H-1-benzopyran-3-carboxamide
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-0913 |
| Compound Name: | N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C17 H19 N3 O2 |
| Smiles: | Cc1c(CNC(C2COc3ccccc3C=2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.963 |
| logD: | 1.963 |
| logSw: | -2.3993 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.861 |
| InChI Key: | BMUFKXXIYAMVJQ-UHFFFAOYSA-N |