N-[1-(3,4-dimethylphenyl)ethyl]-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-[1-(3,4-dimethylphenyl)ethyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[1-(3,4-dimethylphenyl)ethyl]-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: | L610-0785 |
| Compound Name: | N-[1-(3,4-dimethylphenyl)ethyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Smiles: | CC(c1ccc(C)c(C)c1)NC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1454 |
| logD: | 4.1454 |
| logSw: | -4.2886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.849 |
| InChI Key: | MZBSHUKWPSVGQG-UHFFFAOYSA-N |