4-(benzenesulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
4-(benzenesulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
4-(benzenesulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-1657 |
| Compound Name: | 4-(benzenesulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(C(Nc1ccc3c(c1)OCO3)=O)O2)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8805 |
| logD: | 4.8802 |
| logSw: | -4.6016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.598 |
| InChI Key: | FFSPOMPWJCYMDL-XMMPIXPASA-N |