N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,6-dimethyl-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-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-1629 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C24 H27 N3 O7 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC(C1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8791 |
| logD: | 1.8784 |
| logSw: | -2.6443 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.02 |
| InChI Key: | SSWUAKALFSAUBZ-UHFFFAOYSA-N |