4-[2-amino-3-cyano-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-amino-3-cyano-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
4-[2-amino-3-cyano-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-7971 |
| Compound Name: | 4-[2-amino-3-cyano-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C22 H21 N5 O5 S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)S(N)(=O)=O)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0323 |
| logD: | 2.0312 |
| logSw: | -2.4432 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 137.731 |
| InChI Key: | BUYOEPIBQGKXGM-LJQANCHMSA-N |