methyl 2-benzyl-7-[(2,5-dimethylthiophene-3-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-benzyl-7-[(2,5-dimethylthiophene-3-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
methyl 2-benzyl-7-[(2,5-dimethylthiophene-3-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-1184 |
| Compound Name: | methyl 2-benzyl-7-[(2,5-dimethylthiophene-3-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C22 H20 N2 O5 S2 |
| Smiles: | Cc1cc(c(C)s1)S(Nc1cc(cc2c1oc(Cc1ccccc1)n2)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0788 |
| logD: | 4.0019 |
| logSw: | -4.9638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.091 |
| InChI Key: | PTIRMUCRYFDVCJ-UHFFFAOYSA-N |