N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | 3909-9844 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C22 H23 Cl N4 O5 |
| Smiles: | CN(C(CCNC(CN1C=Nc2ccccc2C1=O)=O)=O)c1cc(c(cc1OC)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.0771 |
| logD: | 1.0771 |
| logSw: | -2.963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.725 |
| InChI Key: | YRJRFCGJICHBHJ-UHFFFAOYSA-N |