methyl 2-benzyl-7-[(4-tert-butylbenzene-1-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-benzyl-7-[(4-tert-butylbenzene-1-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
methyl 2-benzyl-7-[(4-tert-butylbenzene-1-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-1183 |
| Compound Name: | methyl 2-benzyl-7-[(4-tert-butylbenzene-1-sulfonyl)amino]-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C26 H26 N2 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1cc(cc2c1oc(Cc1ccccc1)n2)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3474 |
| logD: | 4.7844 |
| logSw: | -5.5725 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.073 |
| InChI Key: | DXAKLFNWYJBFOA-UHFFFAOYSA-N |