3-{2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Chemical Structure Depiction of
3-{2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
3-{2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-2795 |
| Compound Name: | 3-{2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | Cc1c(C)oc(NS(c2ccc3c(c2)C2C4CCC(C4)C2C(c2cccc(c2)C(O)=O)N3)(=O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5234 |
| logD: | 1.1621 |
| logSw: | -4.3382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.683 |
| InChI Key: | YSEYIDAXQSRKGV-UHFFFAOYSA-N |