2-amino-4-{5-[(4-nitrophenoxy)methyl]furan-2-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-[(4-nitrophenoxy)methyl]furan-2-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-[(4-nitrophenoxy)methyl]furan-2-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: | 8016-5159 |
| Compound Name: | 2-amino-4-{5-[(4-nitrophenoxy)methyl]furan-2-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: | 564.64 |
| Molecular Formula: | C26 H24 N6 O5 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CCCC(C=3C(C(C#N)=C2N)c2ccc(COc3ccc(cc3)[N+]([O-])=O)o2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7117 |
| logD: | 4.7117 |
| logSw: | -4.544 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.507 |
| InChI Key: | XPNWOLJREPTWBF-JOCHJYFZSA-N |