4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0618 |
| Compound Name: | 4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Smiles: | CCOc1ccccc1CNC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2471 |
| logD: | 3.247 |
| logSw: | -3.6525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.897 |
| InChI Key: | AICZLLLGMNQFJG-VWLOTQADSA-N |