N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K292-0941 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccsc2C(N1CCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2073 |
| logD: | 5.2072 |
| logSw: | -4.9983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.518 |
| InChI Key: | QAZYWCAUKINKGZ-SFHVURJKSA-N |