[4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)phenyl]acetic acid
Chemical Structure Depiction of
[4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)phenyl]acetic acid
[4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)phenyl]acetic acid
Compound characteristics
| Compound ID: | F454-0090 |
| Compound Name: | [4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)phenyl]acetic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2c2ccc(CC(O)=O)cc2)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5447 |
| logD: | -1.5397 |
| logSw: | -1.8568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | IKJOBTXQSBFCSI-UHFFFAOYSA-N |