N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8016-6776 |
| Compound Name: | N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C23 H19 N3 O3 |
| Smiles: | Cc1cc(NC(c2ccc3c(c2)OCO3)=O)n(Cc2cccc3ccccc23)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3301 |
| logD: | 4.3298 |
| logSw: | -4.4415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.279 |
| InChI Key: | LFAJYBAIWVFWMS-UHFFFAOYSA-N |