2-(phenylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(phenylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(phenylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8005-8777 |
| Compound Name: | 2-(phenylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=O)C(=O)OCCSc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9222 |
| logD: | 2.7719 |
| logSw: | -3.3321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.583 |
| InChI Key: | LWKDAJNOWQAISD-IBGZPJMESA-N |