ethyl 4-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G857-0847 |
| Compound Name: | ethyl 4-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
| Molecular Weight: | 391.4 |
| Molecular Formula: | C17 H17 N3 O6 S |
| Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5801 |
| logD: | -1.6884 |
| logSw: | -2.5138 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.091 |
| InChI Key: | GOEBEZHPZPZUAN-UHFFFAOYSA-N |