N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3127 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 540.56 |
| Molecular Formula: | C28 H23 F3 N2 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc2c(c1)N(C)C(/C(=C/c1ccc(cc1)C(F)(F)F)S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7594 |
| logD: | 4.7594 |
| logSw: | -4.5235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.507 |
| InChI Key: | NZICQAAJYDLUQA-INIZCTEOSA-N |