2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-9-methyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-9-methyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-9-methyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
Compound characteristics
| Compound ID: | C329-0444 |
| Compound Name: | 2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-9-methyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C30 H34 N4 O2 |
| Smiles: | Cn1c2C(N(C=C(C(NCCCN3CCc4ccccc4C3)=O)c2c2ccccc12)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6319 |
| logD: | 2.4821 |
| logSw: | -4.1674 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.776 |
| InChI Key: | VZMNVUPGADIXKV-UHFFFAOYSA-N |