N-{[4-(dimethylamino)phenyl]methyl}-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-{[4-(dimethylamino)phenyl]methyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-{[4-(dimethylamino)phenyl]methyl}-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: | L610-0631 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C29 H30 N4 O3 |
| Smiles: | CN(C)c1ccc(CNC(c2ccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)cc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7277 |
| logD: | 2.7123 |
| logSw: | -3.4845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.491 |
| InChI Key: | IRWUVYRQMHTRKM-SANMLTNESA-N |