ethyl 4-(2,5-dimethylphenyl)-6-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-6-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-6-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7944 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-6-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1nnc(c2ccco2)n1CC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2111 |
| logD: | 4.0025 |
| logSw: | -4.0582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.611 |
| InChI Key: | GSPIHNQLZQPHTI-OAQYLSRUSA-N |