N-[2-(cycloheptylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(cycloheptylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[2-(cycloheptylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0488 |
| Compound Name: | N-[2-(cycloheptylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | COc1ccccc1N1C=C(C(NCC(NC2CCCCCC2)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.528 |
| logD: | 3.528 |
| logSw: | -3.8535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.025 |
| InChI Key: | IFWSOVRUUBZCDY-UHFFFAOYSA-N |