1-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
1-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
1-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D428-0274 |
| Compound Name: | 1-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | CC1CNc2ccccc2N(CCOc2c(C)cccc2C)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8831 |
| logD: | 3.883 |
| logSw: | -4.0611 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.731 |
| InChI Key: | QPQCTYQVNNJHNN-INIZCTEOSA-N |