3-{8-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Chemical Structure Depiction of
3-{8-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
3-{8-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-3004 |
| Compound Name: | 3-{8-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | Cc1cc(NS(c2ccc3c(c2)C2C=CCC2C(c2cccc(c2)C(O)=O)N3)(=O)=O)nc(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0255 |
| logD: | 0.6641 |
| logSw: | -4.0734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.937 |
| InChI Key: | MIYPDJUSRAYWCW-UHFFFAOYSA-N |