N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L104-0068 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CCCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2076 |
| logD: | 4.2076 |
| logSw: | -4.0612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.46 |
| InChI Key: | XJVWGXNYWLXYEF-UHFFFAOYSA-N |