2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-pentylbenzamido)-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-pentylbenzamido)-N-(2-phenylethyl)benzamide
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-pentylbenzamido)-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | V015-2635 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-pentylbenzamido)-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C36 H39 N3 O2 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(Nc1ccc(c(c1)C(NCCc1ccccc1)=O)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2465 |
| logD: | 8.2462 |
| logSw: | -5.5965 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.398 |
| InChI Key: | XBMCPZOTADZOFB-UHFFFAOYSA-N |