N-(2H-1,3-benzodioxol-5-yl)-1-(2-methyl-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-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F821-0530 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCCC(C1)C(Nc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8985 |
| logD: | 1.8978 |
| logSw: | -2.7881 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.698 |
| InChI Key: | KHHCIBBQDJMSEE-UHFFFAOYSA-N |