2-benzyl-N-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0122 |
| Compound Name: | 2-benzyl-N-[3-(1H-pyrazol-1-yl)propyl]-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: | C(CNC(c1ccc2CN(CCCn12)Cc1ccccc1)=O)Cn1cccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.9743 |
| logD: | 1.9281 |
| logSw: | -2.3652 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.818 |
| InChI Key: | WMRRDPZZXHMUFO-UHFFFAOYSA-N |