5-acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 8009-4622 |
| Compound Name: | 5-acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 342.15 |
| Molecular Formula: | C12 H12 Br N3 O4 |
| Smiles: | CC1CN(C(C)=O)c2cc(cc(c2NC1=O)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7782 |
| logD: | -2.9768 |
| logSw: | -2.5318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.341 |
| InChI Key: | ZSZCDDGAIWZUNN-ZCFIWIBFSA-N |