1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prolinamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prolinamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prolinamide
Compound characteristics
| Compound ID: | F632-1330 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prolinamide |
| Molecular Weight: | 493.92 |
| Molecular Formula: | C21 H20 Cl N3 O7 S |
| Smiles: | C1CC(C(Nc2ccc3c(c2)OCCO3)=O)N(C1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8886 |
| logD: | 0.83 |
| logSw: | -2.8537 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.971 |
| InChI Key: | VZXURLUXLREONJ-HNNXBMFYSA-N |