dimethyl 2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
dimethyl 2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G531-0195 |
| Compound Name: | dimethyl 2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C20 H26 N4 O5 |
| Smiles: | Cc1c(CCN(C)C(Nc2cc(ccc2C(=O)OC)C(=O)OC)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1138 |
| logD: | 2.0888 |
| logSw: | -3.1006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.677 |
| InChI Key: | MDVQRMFLDIMMNM-UHFFFAOYSA-N |