2-amino-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-5154 |
| Compound Name: | 2-amino-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C20 H20 N6 O S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CCCC(C=3C(C(C#N)=C2N)c2cccnc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5875 |
| logD: | 2.5875 |
| logSw: | -2.5495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.575 |
| InChI Key: | XWSIRSPWINPNLB-INIZCTEOSA-N |