4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-fluorophenyl)methyl]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-fluorophenyl)methyl]benzamide
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0084 |
| 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-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C27 H24 F N3 O3 |
| Smiles: | C1CC2C(N(Cc3ccc(cc3)C(NCc3cccc(c3)F)=O)c3ccccc3C(N2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8018 |
| logD: | 2.8017 |
| logSw: | -3.5883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.686 |
| InChI Key: | ISDKIDZZSQSRDA-DEOSSOPVSA-N |