5-(but-2-enoyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-(but-2-enoyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-(but-2-enoyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D428-0035 |
| Compound Name: | 5-(but-2-enoyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C14 H16 N2 O2 |
| Smiles: | C/C=C/C(N1CC(C)C(Nc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0601 |
| logD: | 2.0239 |
| logSw: | -2.6468 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.517 |
| InChI Key: | JNPAFAUEFHWJTA-JTQLQIEISA-N |