N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0697 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.184 |
| logD: | 4.8508 |
| logSw: | -5.0098 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.036 |
| InChI Key: | NYMQVCIOSMETNQ-UHFFFAOYSA-N |