2-{[2-(6-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)ethyl]amino}-5-nitrobenzonitrile
Chemical Structure Depiction of
2-{[2-(6-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)ethyl]amino}-5-nitrobenzonitrile
2-{[2-(6-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)ethyl]amino}-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | K287-0588 |
| Compound Name: | 2-{[2-(6-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)ethyl]amino}-5-nitrobenzonitrile |
| Molecular Weight: | 401.83 |
| Molecular Formula: | C17 H12 Cl N5 O3 S |
| Smiles: | C(CN1C(c2cc(ccc2NC1=S)[Cl])=O)Nc1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7074 |
| logD: | 3.6425 |
| logSw: | -4.3257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.384 |
| InChI Key: | VFDPIRCHAHHWCZ-UHFFFAOYSA-N |