2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-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-[5-ethyl-2-(ethylsulfanyl)thiophen-3-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-[5-ethyl-2-(ethylsulfanyl)thiophen-3-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: | 8016-5163 |
| Compound Name: | 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-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: | 517.76 |
| Molecular Formula: | C23 H27 N5 O S4 |
| Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2nnc(SC(C)C)s2)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7402 |
| logD: | 5.7402 |
| logSw: | -5.2673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.075 |
| InChI Key: | ABUMIOBMCAPDBW-SFHVURJKSA-N |