2-benzyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0141 |
| Compound Name: | 2-benzyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 428.58 |
| Molecular Formula: | C27 H32 N4 O |
| Smiles: | C1CN(Cc2ccccc2)Cc2ccc(C(NCCN3CCc4ccccc4C3)=O)n2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.7477 |
| logD: | 3.531 |
| logSw: | -3.9348 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.689 |
| InChI Key: | QPFNCNLYQGUYFM-UHFFFAOYSA-N |