2-benzyl-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0116 |
| Compound Name: | 2-benzyl-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C24 H31 N5 O |
| Smiles: | CCN(Cc1cnn(CC)c1)C(c1ccc2CN(CCCn12)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5975 |
| logD: | 2.5513 |
| logSw: | -2.4411 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.228 |
| InChI Key: | FMIDFPONGYEEQW-UHFFFAOYSA-N |