N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G305-0935 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C20 H21 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(C1CCN(CC1)S(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5419 |
| logD: | 2.5083 |
| logSw: | -3.0111 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.458 |
| InChI Key: | KJZDTLGFKGKXFR-UHFFFAOYSA-N |