methyl 4-{2-methoxy-3-[(prop-2-en-1-yl)oxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{2-methoxy-3-[(prop-2-en-1-yl)oxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{2-methoxy-3-[(prop-2-en-1-yl)oxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y070-1057 |
| Compound Name: | methyl 4-{2-methoxy-3-[(prop-2-en-1-yl)oxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Smiles: | CC1=C(C(c2cccc(c2OC)OCC=C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7868 |
| logD: | 2.7708 |
| logSw: | -3.2663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.069 |
| InChI Key: | CLOYBJLALUYVJM-CQSZACIVSA-N |