N-(4-bromo-3-methylphenyl)-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
N-(4-bromo-3-methylphenyl)-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G305-0940 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 494.36 |
| Molecular Formula: | C20 H20 Br N3 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(C1CCN(CC1)S(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2555 |
| logD: | 3.2219 |
| logSw: | -3.5607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.458 |
| InChI Key: | QCBSBIFUELLXQT-UHFFFAOYSA-N |