4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate
Chemical Structure Depiction of
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 5645-0004 |
| Compound Name: | 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C21 H16 N2 O6 |
| Smiles: | CC1=CC(C)(C)N2C(C(c3cc(cc1c23)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.575 |
| logD: | 3.575 |
| logSw: | -4.0148 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.599 |
| InChI Key: | WURMITIIZPFUKT-UHFFFAOYSA-N |