1-(4-chloro-2-methoxyanilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(4-chloro-2-methoxyanilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
1-(4-chloro-2-methoxyanilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2012 |
| Compound Name: | 1-(4-chloro-2-methoxyanilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 493.95 |
| Molecular Formula: | C26 H24 Cl N3 O5 |
| Smiles: | COc1cc(ccc1Nc1c2ccccc2c(cn1)C(Nc1cc(c(c(c1)OC)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2019 |
| logD: | 5.0925 |
| logSw: | -5.5661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.658 |
| InChI Key: | WXOAHFTWQPDSIP-UHFFFAOYSA-N |