N-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0480 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C26 H22 F N3 O4 |
| Smiles: | COc1ccccc1N1C=C(C(NCC(NCc2ccc(cc2)F)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8077 |
| logD: | 2.8077 |
| logSw: | -3.6093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.969 |
| InChI Key: | JTKTXLRUCYJZEA-UHFFFAOYSA-N |