3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]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-[3-(3-methylpiperidin-1-yl)propyl]benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | L610-0811 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C29 H36 N4 O3 |
| Smiles: | CC1CCCN(CCCNC(c2cccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)c2)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2416 |
| logD: | -0.3299 |
| logSw: | -3.1118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.444 |
| InChI Key: | UZUOPSCSEHJPNP-UHFFFAOYSA-N |