methyl 2-{[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C128-0063 |
| Compound Name: | methyl 2-{[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | COC(c1ccccc1NC(c1cnc(c2ccccc12)Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7515 |
| logD: | 4.7354 |
| logSw: | -4.6951 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.768 |
| InChI Key: | NWCMFPTYGUPDGL-UHFFFAOYSA-N |