2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,6-dichlorophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,6-dichlorophenyl morpholine-4-carboxylate
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,6-dichlorophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8010-3649 |
| Compound Name: | 2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,6-dichlorophenyl morpholine-4-carboxylate |
| Molecular Weight: | 464.3 |
| Molecular Formula: | C21 H19 Cl2 N3 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cc(cc(c2OC(N2CCOCC2)=O)[Cl])[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9426 |
| logD: | 2.9426 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.28 |
| InChI Key: | AJOYAMRYGGVLLF-QGZVFWFLSA-N |