2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-4734 |
| Compound Name: | 2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C21 H25 N7 O S2 |
| Smiles: | CCn1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2nnc(SC(C)C)s2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5921 |
| logD: | 2.5921 |
| logSw: | -2.6836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.912 |
| InChI Key: | FNAQBRBMNZAETQ-QGZVFWFLSA-N |