4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)benzamide
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide
Compound characteristics
| Compound ID: | L610-0091 |
| Compound Name: | 4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C27 H24 F N3 O3 |
| Smiles: | Cc1ccc(cc1F)NC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6216 |
| logD: | 3.6132 |
| logSw: | -3.8685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.364 |
| InChI Key: | XNAVNXLQVRLUFB-DEOSSOPVSA-N |