2-[4-(diethylamino)benzamido]-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[4-(diethylamino)benzamido]-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
2-[4-(diethylamino)benzamido]-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-1137 |
| Compound Name: | 2-[4-(diethylamino)benzamido]-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 544.61 |
| Molecular Formula: | C30 H32 N4 O6 |
| Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1538 |
| logD: | 3.0597 |
| logSw: | -3.5759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.867 |
| InChI Key: | PBVILDUKGNVFHH-UHFFFAOYSA-N |