2-(diethylamino)ethyl 4-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
2-(diethylamino)ethyl 4-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E456-1567 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C30 H31 N3 O5 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4448 |
| logD: | 3.4765 |
| logSw: | -4.1777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.848 |
| InChI Key: | VWYGPXFVBQPHHE-UHFFFAOYSA-N |