methyl 4-(2-amino-3-cyano-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-3-cyano-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-4-yl)benzoate
methyl 4-(2-amino-3-cyano-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-4-yl)benzoate
Compound characteristics
| Compound ID: | 8019-3361 |
| Compound Name: | methyl 4-(2-amino-3-cyano-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-4-yl)benzoate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C21 H14 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2=C1C(=O)Sc1ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2271 |
| logD: | 3.2271 |
| logSw: | -3.7223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.945 |
| InChI Key: | DSLIQJVEVWKCHK-MRXNPFEDSA-N |