2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | 4333-4442 |
Compound Name: | 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 317.32 |
Molecular Formula: | C14 H11 N3 O4 S |
Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc([N+]([O-])=O)s2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7412 |
logD: | 1.7412 |
logSw: | -2.26 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.354 |
InChI Key: | IPJWTSJMWTZDFW-LBPRGKRZSA-N |