2-amino-4-(3,4-dimethoxyphenyl)-6-[(4-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-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0166 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 519.55 |
| Molecular Formula: | C27 H22 F N3 O5 S |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccc(cc1)F)c1ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.621 |
| logD: | 3.621 |
| logSw: | -4.1106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.834 |
| InChI Key: | QBNLVAHOLWZDJG-DEOSSOPVSA-N |