N-[3-(azepan-1-yl)propyl]-3-[(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-[3-(azepan-1-yl)propyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[3-(azepan-1-yl)propyl]-3-[(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: | L610-0799 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C29 H36 N4 O3 |
| Smiles: | C1CCCN(CC1)CCCNC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4504 |
| logD: | -0.1202 |
| logSw: | -3.1141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.841 |
| InChI Key: | OHVMXQIEWURCGS-SANMLTNESA-N |