2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-butyl-N-methylacetamide
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-butyl-N-methylacetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-butyl-N-methylacetamide
Compound characteristics
| Compound ID: | K292-0702 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-butyl-N-methylacetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CCCCN(C)C(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6932 |
| logD: | 3.6932 |
| logSw: | -3.7648 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.049 |
| InChI Key: | DAHYUKLEAQGMTN-UHFFFAOYSA-N |