N-(2H-1,3-benzodioxol-5-yl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F821-0137 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | C1CC(CN(C1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3387 |
| logD: | 1.338 |
| logSw: | -2.464 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.36 |
| InChI Key: | PGQMBALPYJZLSN-ZDUSSCGKSA-N |