ethyl 4-[5-(2-amino-3-cyano-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinolin-4-yl)furan-2-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-(2-amino-3-cyano-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinolin-4-yl)furan-2-yl]benzoate
ethyl 4-[5-(2-amino-3-cyano-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinolin-4-yl)furan-2-yl]benzoate
Compound characteristics
| Compound ID: | 8016-4733 |
| Compound Name: | ethyl 4-[5-(2-amino-3-cyano-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinolin-4-yl)furan-2-yl]benzoate |
| Molecular Weight: | 561.68 |
| Molecular Formula: | C28 H27 N5 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2nnc(SC(C)C)s2)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5496 |
| logD: | 5.5496 |
| logSw: | -5.3402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.21 |
| InChI Key: | GZZSEZHEJKTLMZ-HSZRJFAPSA-N |