ethyl 4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G857-0848 |
| Compound Name: | ethyl 4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1ccc2c(c1)OCCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7196 |
| logD: | -2.5489 |
| logSw: | -2.3071 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.798 |
| InChI Key: | CYYNAFAINUJQQJ-UHFFFAOYSA-N |