methyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
methyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
Compound characteristics
| Compound ID: | D479-0028 |
| Compound Name: | methyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate |
| Molecular Weight: | 234.25 |
| Molecular Formula: | C12 H14 N2 O3 |
| Smiles: | CC1CC(Nc2ccccc2N1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1603 |
| logD: | 1.157 |
| logSw: | -2.0217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.465 |
| InChI Key: | QTQYSOSHLWIANT-QMMMGPOBSA-N |