4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F824-0147 |
| Compound Name: | 4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 498.48 |
| Molecular Formula: | C21 H21 F3 N4 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9711 |
| logD: | 2.9708 |
| logSw: | -3.5769 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.835 |
| InChI Key: | WHXFLGMRARIDSY-CYBMUJFWSA-N |