ethyl {5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0185 |
| Compound Name: | ethyl {5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C21 H20 Br N3 O4 |
| Smiles: | CCOC(CC1=CC(N(CC(Nc2ccc(cc2)[Br])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7049 |
| logD: | 3.3434 |
| logSw: | -4.0028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.884 |
| InChI Key: | FSJXFDPAPAQTJZ-UHFFFAOYSA-N |