4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-methylphenyl)ethyl]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-[1-(4-methylphenyl)ethyl]benzamide
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-methylphenyl)ethyl]benzamide
Compound characteristics
Compound ID: | L610-0127 |
Compound Name: | 4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[1-(4-methylphenyl)ethyl]benzamide |
Molecular Weight: | 467.57 |
Molecular Formula: | C29 H29 N3 O3 |
Smiles: | CC(c1ccc(C)cc1)NC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3164 |
logD: | 3.3163 |
logSw: | -3.8107 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.849 |
InChI Key: | XJMFPOQVMRKPLE-UHFFFAOYSA-N |