N-(3-acetamidophenyl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
Chemical Structure Depiction of
N-(3-acetamidophenyl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
N-(3-acetamidophenyl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
Compound characteristics
| Compound ID: | Y042-5578 |
| Compound Name: | N-(3-acetamidophenyl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | CC(Nc1cccc(c1)NC(CN1C([C@@H]2CCCN2C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7513 |
| logD: | 0.7513 |
| logSw: | -2.5013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.684 |
| InChI Key: | FXYHCAMWZLMSIY-IBGZPJMESA-N |