2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(6-methylpyridin-2-yl)acetamide
Chemical Structure Depiction of
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(6-methylpyridin-2-yl)acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(6-methylpyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y042-5583 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(6-methylpyridin-2-yl)acetamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1cccc(NC(CN2C([C@@H]3CCCN3C(c3ccccc23)=O)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.2378 |
| logD: | 1.2376 |
| logSw: | -2.4409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.412 |
| InChI Key: | WCJROEPKAHSXGT-INIZCTEOSA-N |