3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | L610-0297 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C27 H32 N4 O3 |
| Smiles: | C1CCN(CC1)CCNC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8313 |
| logD: | 0.8316 |
| logSw: | -2.6939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.51 |
| InChI Key: | XUKRJHXDFRWGND-DEOSSOPVSA-N |