2-amino-4-(4-ethylphenyl)-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-ethylphenyl)-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(4-ethylphenyl)-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0241 |
| Compound Name: | 2-amino-4-(4-ethylphenyl)-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C27 H22 F N3 O3 S |
| Smiles: | CCc1ccc(cc1)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccccc1F)c1ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1458 |
| logD: | 5.1458 |
| logSw: | -5.2014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | UEIRPDMIGFRQOZ-DEOSSOPVSA-N |