ethyl 6-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y503-3813 |
| Compound Name: | ethyl 6-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C24 H29 N7 O3 S |
| Smiles: | CCN1C(CSc2nnc(c3cc(C)n(C)n3)n2C)=C(C(c2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6216 |
| logD: | 2.6195 |
| logSw: | -2.8133 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.048 |
| InChI Key: | MXWHZWKLIOEPOV-HXUWFJFHSA-N |