2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3441 |
| Compound Name: | 2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 359.29 |
| Molecular Formula: | C16 H13 N3 O7 |
| Smiles: | COCCCN1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1135 |
| logD: | 2.1135 |
| logSw: | -2.8025 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.209 |
| InChI Key: | RGWXTYXTEUPRDJ-UHFFFAOYSA-N |