methyl 2-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
methyl 2-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | 8018-3087 |
| Compound Name: | methyl 2-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 441.27 |
| Molecular Formula: | C17 H20 I N3 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccccc2C(=O)OC)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 1.6852 |
| logD: | 1.6129 |
| logSw: | -2.4718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.124 |
| InChI Key: | SBMHZWMFIWOHNY-UHFFFAOYSA-N |