propan-2-yl 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
propan-2-yl 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3826-1238 |
| Compound Name: | propan-2-yl 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 508.53 |
| Molecular Formula: | C27 H28 N2 O8 |
| Smiles: | CC(C)OC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(c(c1)OC)OCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8579 |
| logD: | 3.8579 |
| logSw: | -4.3847 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.305 |
| InChI Key: | CTOCEIRHNKHRCM-HSZRJFAPSA-N |