2-[2-(4-tert-butylphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(4-tert-butylphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4(3H)-one
2-[2-(4-tert-butylphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0297 |
| Compound Name: | 2-[2-(4-tert-butylphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C27 H25 Cl N2 O2 |
| Smiles: | CC(C)(C)c1ccc(/C=C/C2=Nc3ccccc3C(N2c2ccc(c(c2)[Cl])OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2575 |
| logD: | 6.2574 |
| logSw: | -6.0021 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.224 |
| InChI Key: | FMXHZOKUEXCQOV-UHFFFAOYSA-N |