2-benzyl-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0142 |
| Compound Name: | 2-benzyl-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C22 H27 N5 O |
| Smiles: | Cc1cc(CNC(c2ccc3CN(CCCn23)Cc2ccccc2)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1282 |
| logD: | 2.082 |
| logSw: | -2.7601 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.007 |
| InChI Key: | PQGAUTKKBLBYDO-UHFFFAOYSA-N |