ethyl 2-{3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-[(oxolan-2-yl)methyl]prop-2-enamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-[(oxolan-2-yl)methyl]prop-2-enamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-[(oxolan-2-yl)methyl]prop-2-enamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y500-9959 |
| Compound Name: | ethyl 2-{3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-[(oxolan-2-yl)methyl]prop-2-enamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | CCOC(c1c(C)nc(N(CC2CCCO2)C(/C=C/c2cnn(C)c2C)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2588 |
| logD: | 2.2588 |
| logSw: | -2.2332 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.354 |
| InChI Key: | IIAPWCAOOVCBGB-MRXNPFEDSA-N |