N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | G305-1284 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | C1CC(CN(C1)S(c1ccc2c(c1)OC(N2)=O)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5992 |
| logD: | 1.5656 |
| logSw: | -2.5308 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.829 |
| InChI Key: | ZQHZHRHKKVQWBM-AWEZNQCLSA-N |