N-[(3,5-dimethoxyphenyl)methyl]-4-[(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-[(3,5-dimethoxyphenyl)methyl]-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[(3,5-dimethoxyphenyl)methyl]-4-[(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: | L610-0617 |
| Compound Name: | N-[(3,5-dimethoxyphenyl)methyl]-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C29 H29 N3 O5 |
| Smiles: | COc1cc(CNC(c2ccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)cc2)=O)cc(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8877 |
| logD: | 2.8877 |
| logSw: | -3.5751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.774 |
| InChI Key: | JDHUSBOASYCWSX-SANMLTNESA-N |