N-[(5-methylfuran-2-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
N-[(5-methylfuran-2-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0178 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC(C1)C(NCc1ccc(C)o1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4374 |
| logD: | 1.4368 |
| logSw: | -2.491 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.829 |
| InChI Key: | VTPVXORLMIXYPW-HNNXBMFYSA-N |