2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6389 |
| Compound Name: | 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 456.45 |
| Molecular Formula: | C21 H17 F N4 O5 S |
| Smiles: | CN1C(=NC=C(C(Nc2ccc(cc2)F)=O)C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2245 |
| logD: | 0.019 |
| logSw: | -3.0367 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.153 |
| InChI Key: | LWPHERJRCQLZJW-UHFFFAOYSA-N |