tert-butyl {[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
tert-butyl {[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-2986 |
| Compound Name: | tert-butyl {[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CC(C)(C)OC(CSC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6357 |
| logD: | 3.6356 |
| logSw: | -4.0798 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.081 |
| InChI Key: | HRJKPCPEDQXUAQ-UHFFFAOYSA-N |