methyl 4-{2-amino-3-cyano-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-amino-3-cyano-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
methyl 4-{2-amino-3-cyano-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
Compound characteristics
| Compound ID: | E738-0183 |
| Compound Name: | methyl 4-{2-amino-3-cyano-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate |
| Molecular Weight: | 517.53 |
| Molecular Formula: | C27 H20 F N3 O5 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccc(cc1)F)c1ccccc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0569 |
| logD: | 4.0569 |
| logSw: | -4.5637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.747 |
| InChI Key: | IRMFTRLSRQJMFN-QHCPKHFHSA-N |