4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8009-9066 |
| Compound Name: | 4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide |
| Molecular Weight: | 533.46 |
| Molecular Formula: | C22 H21 Br N4 O3 S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7241 |
| logD: | 2.723 |
| logSw: | -3.2407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.998 |
| InChI Key: | LLBNLMLYADLRNA-IBGZPJMESA-N |