4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]butanamide
4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C260-0767 |
| Compound Name: | 4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]butanamide |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C31 H33 F N4 O6 |
| Smiles: | COc1ccc(CCNC(CN2C(N(CCCC(NCc3ccc(cc3)F)=O)C(c3ccccc23)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5631 |
| logD: | 1.5631 |
| logSw: | -2.5861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.29 |
| InChI Key: | LXWJWRNCDDCACE-UHFFFAOYSA-N |