N-[1-(4-butoxyphenyl)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-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-7116 |
| Compound Name: | N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C30 H29 F3 N2 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C(C)NC(c1ccc2c(c1)N(C)C(/C(=C\c1ccc(cc1)C(F)(F)F)S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9199 |
| logD: | 6.9199 |
| logSw: | -5.5924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.101 |
| InChI Key: | ZOVDNGPMBNWXCK-IBGZPJMESA-N |