4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-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-[(3-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-[(3-ethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0643 |
| Compound Name: | 4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-ethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Smiles: | CCOc1cccc(CNC(c2ccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)cc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1224 |
| logD: | 3.1224 |
| logSw: | -3.5558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.81 |
| InChI Key: | KHOMOYZFNQHSDT-SANMLTNESA-N |