N-(2H-1,3-benzodioxol-5-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8018-3990 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 427.24 |
| Molecular Formula: | C16 H18 I N3 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccc3c(c2)OCO3)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 1.7938 |
| logD: | 1.7936 |
| logSw: | -2.4263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.763 |
| InChI Key: | DLGPSCLUDHTGME-UHFFFAOYSA-N |