methyl 4-{2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-4-oxoquinazolin-3(4H)-yl}benzoate
methyl 4-{2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | K505-0790 |
| Compound Name: | methyl 4-{2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C28 H25 Cl N2 O3 |
| Smiles: | CC(C)(C)c1ccc(/C=C/C2=Nc3cc(ccc3C(N2c2ccc(cc2)C(=O)OC)=O)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7823 |
| logD: | 6.7823 |
| logSw: | -6.362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.768 |
| InChI Key: | VOSQUNHMCHJEHR-UHFFFAOYSA-N |