N-(2H-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F396-1090 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCCCN1C(=Nc2c3cccnc3sc2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1467 |
| logD: | 4.1466 |
| logSw: | -4.0564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.186 |
| InChI Key: | NKBDLLKEIMIZLS-UHFFFAOYSA-N |