2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6063 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C26 H22 N6 O2 S |
| Smiles: | Cc1cc(no1)N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(Cn2cnc3ccccc23)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2477 |
| logD: | 3.2445 |
| logSw: | -3.4495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.272 |
| InChI Key: | WPOXXENUNDANEE-DEOSSOPVSA-N |