2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methoxypropyl)butanamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methoxypropyl)butanamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methoxypropyl)butanamide
Compound characteristics
| Compound ID: | K292-0694 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methoxypropyl)butanamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CCC(C(NCCCOC)=O)SC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7184 |
| logD: | 3.7184 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.045 |
| InChI Key: | VQYRUIHAHGGEMI-SFHVURJKSA-N |