3-methyl-5-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
3-methyl-5-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
3-methyl-5-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D428-0036 |
| Compound Name: | 3-methyl-5-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C19 H18 N2 O2 |
| Smiles: | CC1CN(C(/C=C/c2ccccc2)=O)c2ccccc2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1824 |
| logD: | 3.1462 |
| logSw: | -3.4334 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.245 |
| InChI Key: | KCQDVPWRPNKLJB-AWEZNQCLSA-N |