methyl {5-[2-(2-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(2-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(2-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0585 |
| Compound Name: | methyl {5-[2-(2-bromoanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C20 H18 Br N3 O4 |
| Smiles: | COC(CC1=CC(N(CC(Nc2ccccc2[Br])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6812 |
| logD: | 2.3197 |
| logSw: | -3.0882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.606 |
| InChI Key: | NSAAFJVTMSABMW-UHFFFAOYSA-N |