N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
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)prolinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-0468 |
| 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)prolinamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC1C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7563 |
| logD: | 1.7557 |
| logSw: | -2.634 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.924 |
| InChI Key: | IFIXOHUXQZLRCD-UHFFFAOYSA-N |