N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-1139 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 549.03 |
| Molecular Formula: | C29 H29 Cl N4 O5 |
| Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(Nc2cc(c(cc2OC)OC)[Cl])=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2703 |
| logD: | 3.4574 |
| logSw: | -4.5375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.452 |
| InChI Key: | CRNXJUFOTWBDCU-UHFFFAOYSA-N |