ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate
ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C066-2023 |
| Compound Name: | ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | CCOC(c1ccccc1NC(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.703 |
| logD: | 6.6869 |
| logSw: | -6.2652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.804 |
| InChI Key: | DUVQZUOSUXFHCI-UHFFFAOYSA-N |