2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Chemical Structure Depiction of
2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | L610-0442 |
| Compound Name: | 2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C28 H35 N5 O3 |
| Smiles: | CN1CCN(CCCNC(c2ccccc2CN2C(C3CCCN3C(c3ccccc23)=O)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1384 |
| logD: | -0.0119 |
| logSw: | -2.4932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.987 |
| InChI Key: | FAUJKDGLCZEFDU-VWLOTQADSA-N |