3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | K018-0059 |
Compound Name: | 3-{[(5-nitrothiophen-2-yl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 382.42 |
Molecular Formula: | C17 H10 N4 O3 S2 |
Smiles: | C(\c1ccc([N+]([O-])=O)s1)=N/N1C=Nc2c(C1=O)c(cs2)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.8765 |
logD: | 3.8765 |
logSw: | -4.3102 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 70.596 |
InChI Key: | WDROOORUMGYAJH-UHFFFAOYSA-N |