N-{2-[benzyl(methyl)amino]ethyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-{2-[benzyl(methyl)amino]ethyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0612 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C30 H32 N4 O3 |
| Smiles: | CN(CCNC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3423 |
| logD: | 2.136 |
| logSw: | -3.0728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.622 |
| InChI Key: | WXFQRBGMRJUAJY-MHZLTWQESA-N |