N-[(2-chloro-4-fluorophenyl)methyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0237 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C27 H23 Cl F N3 O3 |
| Smiles: | C1CC2C(N(Cc3cccc(c3)C(NCc3ccc(cc3[Cl])F)=O)c3ccccc3C(N2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.675 |
| logD: | 3.6748 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.686 |
| InChI Key: | MPIMRPVOPAOWSF-DEOSSOPVSA-N |