7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 1186-0577 |
| Compound Name: | 7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 511.29 |
| Molecular Formula: | C22 H15 Br N4 O6 |
| Smiles: | C1C(Nc2ccc(cc2C(c2ccccc2)N1C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.566 |
| logD: | 4.566 |
| logSw: | -4.4362 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.789 |
| InChI Key: | GBUGROMYUNXALC-NRFANRHFSA-N |