N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 507.95 |
| Molecular Formula: | C22 H22 Cl N3 O7 S |
| Smiles: | C1CC(CN(C1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5524 |
| logD: | 1.4939 |
| logSw: | -2.9084 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.682 |
| InChI Key: | IVAJHSIUUDCUIV-AWEZNQCLSA-N |