4-{[3-(dimethylamino)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{[3-(dimethylamino)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
4-{[3-(dimethylamino)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-1386 |
| Compound Name: | 4-{[3-(dimethylamino)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 273.29 |
| Molecular Formula: | C13 H15 N5 O2 |
| Smiles: | CN(C)CCCNc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.528 |
| logD: | -0.2593 |
| logSw: | -2.2607 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.947 |
| InChI Key: | NGZUAARPXASGLP-UHFFFAOYSA-N |