4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methoxy-3-nitrobenzoate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methoxy-3-nitrobenzoate
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methoxy-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0615-6087 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methoxy-3-nitrobenzoate |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C18 H13 N O7 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(c1ccc(c(c1)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4466 |
| logD: | 2.4466 |
| logSw: | -2.9932 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.735 |
| InChI Key: | JBGAPCOUYOBGQN-UHFFFAOYSA-N |