N-[2-(dimethylamino)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[2-(dimethylamino)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3052 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H22 F3 N3 O2 S |
| Smiles: | CN(C)CCNC(c1ccc2c(c1)N(C)C(/C(=C/c1ccc(cc1)C(F)(F)F)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5681 |
| logD: | 2.7288 |
| logSw: | -4.0079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.499 |
| InChI Key: | MPTOBBISAJKLKD-UHFFFAOYSA-N |