7-bromo-5-(4-fluorophenyl)-4-(2-phenoxypropanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-bromo-5-(4-fluorophenyl)-4-(2-phenoxypropanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-bromo-5-(4-fluorophenyl)-4-(2-phenoxypropanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0149 |
| Compound Name: | 7-bromo-5-(4-fluorophenyl)-4-(2-phenoxypropanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 483.34 |
| Molecular Formula: | C24 H20 Br F N2 O3 |
| Smiles: | CC(C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Br])=O)=O)Oc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9167 |
| logD: | 4.9167 |
| logSw: | -4.5208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.815 |
| InChI Key: | TWCOKELEODYKRF-UHFFFAOYSA-N |