N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-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-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0075 |
| 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-3-carboxamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC(C1)C(NCc1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2929 |
| logD: | 1.2924 |
| logSw: | -2.4669 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.682 |
| InChI Key: | IALOVZQEEYNZTO-INIZCTEOSA-N |