methyl {5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0059 |
| Compound Name: | methyl {5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 462.27 |
| Molecular Formula: | C20 H17 Br F N3 O4 |
| Smiles: | COC(CC1=CC(N(CC(Nc2ccc(cc2F)[Br])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0989 |
| logD: | 2.7374 |
| logSw: | -3.4548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.606 |
| InChI Key: | QJKVZUHGMKUBIX-UHFFFAOYSA-N |