dimethyl 2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
dimethyl 2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G531-0027 |
| Compound Name: | dimethyl 2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C19 H24 N4 O5 |
| Smiles: | Cc1c(CCNC(Nc2cc(ccc2C(=O)OC)C(=O)OC)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5118 |
| logD: | 1.497 |
| logSw: | -2.2763 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.194 |
| InChI Key: | HGCJILDSDNKVQO-UHFFFAOYSA-N |