N-(3-chlorophenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chlorophenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-1115 |
| Compound Name: | N-(3-chlorophenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C27 H25 Cl N4 O3 |
| Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(Nc2cccc(c2)[Cl])=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5268 |
| logD: | 4.4343 |
| logSw: | -4.5446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.888 |
| InChI Key: | LNPRPAOAYJXKQT-UHFFFAOYSA-N |