4-[(4-amino-6-hydroxypyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[(4-amino-6-hydroxypyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
4-[(4-amino-6-hydroxypyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-7391 |
| Compound Name: | 4-[(4-amino-6-hydroxypyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 297.23 |
| Molecular Formula: | C12 H7 N7 O3 |
| Smiles: | C(c1cc(c(cc1C#N)[N+]([O-])=O)Nc1c(N)ncnc1O)#N |
| Stereo: | ACHIRAL |
| logP: | 0.7352 |
| logD: | 0.6847 |
| logSw: | -2.3251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 131.717 |
| InChI Key: | BEFVEUSSUSIBBH-UHFFFAOYSA-N |