2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-4-bromophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-4-bromophenyl morpholine-4-carboxylate
2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-4-bromophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8012-3279 |
| Compound Name: | 2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-4-bromophenyl morpholine-4-carboxylate |
| Molecular Weight: | 488.29 |
| Molecular Formula: | C21 H18 Br N3 O6 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cc(ccc2OC(N2CCOCC2)=O)[Br])C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2224 |
| logD: | 2.2224 |
| logSw: | -2.8847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.48 |
| InChI Key: | PQPYAWDRLSHTDB-QGZVFWFLSA-N |