2-amino-4-(1-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-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-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: | 8016-5158 |
| Compound Name: | 2-amino-4-(1-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: | 427.55 |
| Molecular Formula: | C19 H21 N7 O S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CCCC(C=3C(C(C#N)=C2N)c2cnn(C)c2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.885 |
| logD: | 1.885 |
| logSw: | -2.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.866 |
| InChI Key: | DFLHWBFPSQPSBK-HNNXBMFYSA-N |