[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile
[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Compound characteristics
Compound ID: | L002-0302 |
Compound Name: | [(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile |
Molecular Weight: | 372.45 |
Molecular Formula: | C21 H16 N4 O S |
Smiles: | C(c1ccccc1)N1C(=Nc2cc(c3ccccc3)[nH]c2C1=O)SCC#N |
Stereo: | ACHIRAL |
logP: | 3.9281 |
logD: | 3.9281 |
logSw: | -4.0964 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.758 |
InChI Key: | RRPMBALZJKHYDS-UHFFFAOYSA-N |