2-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0528 |
| Compound Name: | 2-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | CC(C)N1CCCn2c(C1)ccc2C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6331 |
| logD: | 0.9718 |
| logSw: | -1.3863 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.045 |
| InChI Key: | XYCFRJADCSLEFZ-UHFFFAOYSA-N |