N-[3,5-bis(trifluoromethyl)phenyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-[3,5-bis(trifluoromethyl)phenyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-[3,5-bis(trifluoromethyl)phenyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-3820 |
| Compound Name: | N-[3,5-bis(trifluoromethyl)phenyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 454.35 |
| Molecular Formula: | C17 H12 F6 N2 O4 S |
| Smiles: | Cc1cc2c(cc1S(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9465 |
| logD: | 1.2137 |
| logSw: | -4.0403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.158 |
| InChI Key: | CBPJFPIVAIFMBD-UHFFFAOYSA-N |