N-[3-(cycloheptylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(cycloheptylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(cycloheptylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0212 |
| Compound Name: | N-[3-(cycloheptylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | COc1cccc(c1)N1C=C(C(NCCC(NC2CCCCCC2)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2234 |
| logD: | 3.2234 |
| logSw: | -3.7279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.081 |
| InChI Key: | DRAZZWKBEWHBAS-UHFFFAOYSA-N |