2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7713 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | Cc1c(Cn2cnc3ccccc23)cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9505 |
| logD: | 2.933 |
| logSw: | -3.4182 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.805 |
| InChI Key: | QJTJQARPQDVUFF-NRFANRHFSA-N |