N-(2H-1,3-benzodioxol-5-yl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-(2H-1,3-benzodioxol-5-yl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-0137 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC1C(Nc1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4897 |
| logD: | 1.4888 |
| logSw: | -2.5056 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.263 |
| InChI Key: | PEBVOVWECSMNPV-HNNXBMFYSA-N |