N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | L104-0184 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-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: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.228 |
logD: | 3.2279 |
logSw: | -3.5935 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.91 |
InChI Key: | YYGKWFCPZOZRGO-UHFFFAOYSA-N |