2-benzyl-N-[(3,5-dimethyl-1,2-oxazol-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0127 |
| Compound Name: | 2-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | Cc1c(CNC(c2ccc3CN(CCCn23)Cc2ccccc2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.9647 |
| logD: | 2.9184 |
| logSw: | -3.2172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.242 |
| InChI Key: | QKSCIKUEPBIFFY-UHFFFAOYSA-N |