1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1914 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C24 H19 Cl N4 O4 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0263 |
| logD: | 6.0047 |
| logSw: | -6.0892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.062 |
| InChI Key: | NDTVBXLKKAIAOY-UHFFFAOYSA-N |