4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{1-[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]ethyl}benzamide
Compound characteristics
| Compound ID: | L610-0134 |
| 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-(propan-2-yl)phenyl]ethyl}benzamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)C(C)NC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2312 |
| logD: | 4.2311 |
| logSw: | -4.2063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.849 |
| InChI Key: | MZKDQKGPOIMJOJ-UHFFFAOYSA-N |