4-{2-[(pyrimidin-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Chemical Structure Depiction of
4-{2-[(pyrimidin-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
4-{2-[(pyrimidin-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-3010 |
| Compound Name: | 4-{2-[(pyrimidin-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | C1CC2CC1C1C2c2cc(ccc2NC1c1ccc(cc1)C(O)=O)S(Nc1ncccn1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5981 |
| logD: | 0.6266 |
| logSw: | -3.913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.235 |
| InChI Key: | VCXGVYWIXAQPOL-UHFFFAOYSA-N |