5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3764-6654 |
| Compound Name: | 5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 678.79 |
| Molecular Formula: | C42 H38 N4 O5 |
| Smiles: | CCCCc1ccc(cc1)c1nc(c2ccccc2n1)Nc1ccc(cc1)Oc1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 10.1022 |
| logD: | 9.8444 |
| logSw: | -5.9027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.045 |
| InChI Key: | WBQYTJDTLHAYKS-UHFFFAOYSA-N |