2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K292-0615 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 558.65 |
| Molecular Formula: | C24 H22 N4 O6 S3 |
| Smiles: | C(CNC(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0745 |
| logD: | 2.0738 |
| logSw: | -2.9397 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.821 |
| InChI Key: | DAKPPFJWFDBZJE-UHFFFAOYSA-N |