2-({2-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]ethyl}amino)-5-nitrobenzonitrile
Chemical Structure Depiction of
2-({2-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]ethyl}amino)-5-nitrobenzonitrile
2-({2-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]ethyl}amino)-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | C431-0061 |
| Compound Name: | 2-({2-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]ethyl}amino)-5-nitrobenzonitrile |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C19 H18 N6 O4 S |
| Smiles: | COc1cc2C(NCCNc3ccc(cc3C#N)[N+]([O-])=O)=NC(Nc2cc1OC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2201 |
| logD: | 0.2224 |
| logSw: | -2.9323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.252 |
| InChI Key: | YOYLXQBLFODJKV-UHFFFAOYSA-N |