tert-butyl {[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
tert-butyl {[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V031-1268 |
| Compound Name: | tert-butyl {[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 437.34 |
| Molecular Formula: | C20 H18 Cl2 N2 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSC1=Nc2ccccc2C(N1c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.049 |
| logD: | 5.0489 |
| logSw: | -5.1388 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.699 |
| InChI Key: | LQKOCHZICIYLSZ-UHFFFAOYSA-N |