ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0055 |
| Compound Name: | ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C17 H18 N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1ccc2c(c1)OCCO2)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5174 |
| logD: | 1.4712 |
| logSw: | -3.013 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.573 |
| InChI Key: | IJRQHZWMFJFAAP-UHFFFAOYSA-N |