2-amino-4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-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-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-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-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-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: | 8016-4732 |
| Compound Name: | 2-amino-4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-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: | 552.12 |
| Molecular Formula: | C27 H26 Cl N5 O2 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CC(C)(C)CC(C=3C(C(C#N)=C2N)c2ccc(c3ccccc3[Cl])o2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9346 |
| logD: | 5.9346 |
| logSw: | -5.8716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.456 |
| InChI Key: | SNARAFXYKMAPHJ-QFIPXVFZSA-N |