2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-7,7-dimethyl-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]thiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1376 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(Cn3cnc4ccccc34)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9505 |
| logD: | 2.9473 |
| logSw: | -3.342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.805 |
| InChI Key: | WJMCIUDPEHCGGR-NRFANRHFSA-N |