1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1702 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C29 H22 Cl N3 O2 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9266 |
| logD: | 7.923 |
| logSw: | -6.5311 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.495 |
| InChI Key: | XMUAOTYIPLDWIZ-UHFFFAOYSA-N |