N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K292-0696 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C25 H21 N3 O6 S2 |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1019 |
| logD: | 5.1018 |
| logSw: | -4.8936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.383 |
| InChI Key: | KTJASCKUZXYOBD-NRFANRHFSA-N |