2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | K292-0626 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(butan-2-yl)acetamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CCC(C)NC(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4051 |
| logD: | 3.4051 |
| logSw: | -3.8706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.089 |
| InChI Key: | NRLYIPPGARPGOS-LBPRGKRZSA-N |