methyl {5-[2-(3-bromoanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(3-bromoanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(3-bromoanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0488 |
| Compound Name: | methyl {5-[2-(3-bromoanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 472.34 |
| Molecular Formula: | C22 H22 Br N3 O4 |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1cccc(c1)[Br])=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1821 |
| logD: | 3.8536 |
| logSw: | -4.4649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.304 |
| InChI Key: | VMKOFMSXTBJAJV-UHFFFAOYSA-N |