4,5-dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
4,5-dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
4,5-dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 8010-3041 |
| Compound Name: | 4,5-dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C11 H13 N3 O3 |
| Smiles: | CC1CC(Nc2ccc(cc2N1C)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2179 |
| logD: | 0.4848 |
| logSw: | -2.4198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.556 |
| InChI Key: | BEOZEQFRINONEL-ZETCQYMHSA-N |