4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | Y020-5829 |
| Compound Name: | 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 437.36 |
| Molecular Formula: | C21 H15 N3 O8 |
| Smiles: | CC1=CC(C)(C)N2C(C(c3cc(cc1c23)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2645 |
| logD: | 3.2645 |
| logSw: | -3.9392 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.98 |
| InChI Key: | NWOIBRDLQNAMNO-UHFFFAOYSA-N |