N-(2H-1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-oxo-6-phenyl-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-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F841-0989 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C28 H22 N4 O4 S |
| Smiles: | C(c1ccccc1)N1C(=Nc2cc(c3ccccc3)[nH]c2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1727 |
| logD: | 5.1727 |
| logSw: | -5.3725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.26 |
| InChI Key: | GFKXBMYAASOLSX-UHFFFAOYSA-N |