2-amino-4-(3,4-dihydroxyphenyl)-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-dihydroxyphenyl)-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-dihydroxyphenyl)-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: | E738-0195 |
| Compound Name: | 2-amino-4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C25 H18 F N3 O5 S |
| Smiles: | C(c1ccc(cc1)F)N1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)O)O)S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9119 |
| logD: | 2.9027 |
| logSw: | -3.4663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.669 |
| InChI Key: | IXABWKGQABKHRI-QFIPXVFZSA-N |