N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-0855 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N1CCC(CC1)C(NCc1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3766 |
| logD: | 1.3761 |
| logSw: | -2.5181 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.748 |
| InChI Key: | OUXYPCOKJXTLNZ-UHFFFAOYSA-N |