2-amino-6-[(4-methylphenyl)methyl]-5,5-dioxo-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-[(4-methylphenyl)methyl]-5,5-dioxo-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-[(4-methylphenyl)methyl]-5,5-dioxo-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0284 |
| Compound Name: | 2-amino-6-[(4-methylphenyl)methyl]-5,5-dioxo-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 523.53 |
| Molecular Formula: | C27 H20 F3 N3 O3 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C3=C(C(C(C#N)=C(N)O3)c3ccc(cc3)C(F)(F)F)S2(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2332 |
| logD: | 5.2332 |
| logSw: | -5.241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | VNOIKEBYDKFBBZ-QHCPKHFHSA-N |