3-(cyclohexyl{[2-methoxy-5-(methoxycarbonyl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(cyclohexyl{[2-methoxy-5-(methoxycarbonyl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(cyclohexyl{[2-methoxy-5-(methoxycarbonyl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-5948 |
| Compound Name: | 3-(cyclohexyl{[2-methoxy-5-(methoxycarbonyl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C22 H27 N3 O6 |
| Smiles: | Cn1cc(C(O)=O)c(C(N(Cc2cc(ccc2OC)C(=O)OC)C2CCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2046 |
| logD: | -0.3702 |
| logSw: | -3.0664 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.991 |
| InChI Key: | CTJVRSKXPXYPFW-UHFFFAOYSA-N |