N-{3-[benzyl(ethyl)amino]propyl}-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
N-{3-[benzyl(ethyl)amino]propyl}-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C648-0278 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C26 H34 N4 O5 S |
| Smiles: | CCN(CCCNC(C1CCCN(C1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2732 |
| logD: | 0.6263 |
| logSw: | -2.9951 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.69 |
| InChI Key: | XHBCSRMELAUWER-NRFANRHFSA-N |