3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-ethoxyphenyl)ethyl]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-[1-(4-ethoxyphenyl)ethyl]benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | L610-0282 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C30 H31 N3 O4 |
| Smiles: | CCOc1ccc(cc1)C(C)NC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2763 |
| logD: | 3.2763 |
| logSw: | -3.8468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.973 |
| InChI Key: | YBAMKJBFBMRKOC-UHFFFAOYSA-N |