2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(3-methylpyridin-2-yl)acetamide
Chemical Structure Depiction of
2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(3-methylpyridin-2-yl)acetamide
2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(3-methylpyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y044-3011 |
| Compound Name: | 2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(3-methylpyridin-2-yl)acetamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1cccnc1NC(CN1C(C2CCCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.163 |
| logD: | 1.1627 |
| logSw: | -2.3747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.11 |
| InChI Key: | CQQSMYAFEPRGIB-INIZCTEOSA-N |