3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]benzamide
Chemical Structure Depiction of
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]benzamide
Compound characteristics
| Compound ID: | L610-0773 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]benzamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | CC(C)C(c1cccs1)NC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6049 |
| logD: | 3.6049 |
| logSw: | -3.8921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.057 |
| InChI Key: | RYQBRCYGUDDIPM-UHFFFAOYSA-N |