3-{2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Chemical Structure Depiction of
3-{2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
3-{2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-2798 |
| Compound Name: | 3-{2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | Cc1cc(NS(c2ccc3c(c2)C2C4CCC(C4)C2C(c2cccc(c2)C(O)=O)N3)(=O)=O)no1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8386 |
| logD: | 1.4772 |
| logSw: | -4.4793 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.461 |
| InChI Key: | BSSGAGJUKWPCTG-UHFFFAOYSA-N |