2-amino-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7903 |
| Compound Name: | 2-amino-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C21 H19 N7 O2 S |
| Smiles: | Cc1cc(no1)N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(Cn2cncn2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4602 |
| logD: | 1.4602 |
| logSw: | -1.8005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.064 |
| InChI Key: | VPWWKXFZQAELEE-IBGZPJMESA-N |