N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-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: | L104-0069 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-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: | 490.58 |
Molecular Formula: | C26 H26 N4 O4 S |
Smiles: | CCCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.3471 |
logD: | 3.347 |
logSw: | -3.6441 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.167 |
InChI Key: | MUIVGVCFEDZQLD-UHFFFAOYSA-N |