N-[(2,5-dimethoxyphenyl)methyl]-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-[(2,5-dimethoxyphenyl)methyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[(2,5-dimethoxyphenyl)methyl]-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: | L610-0300 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-3-[(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: | COc1ccc(c(CNC(c2cccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)c2)=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8521 |
| logD: | 2.8521 |
| logSw: | -3.6573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.86 |
| InChI Key: | DSDVBJDWAYFPTK-VWLOTQADSA-N |