1-benzyl-3-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0603 |
| Compound Name: | 1-benzyl-3-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CC(C)(C)C(N1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1747 |
| logD: | 2.1554 |
| logSw: | -2.3431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.84 |
| InChI Key: | LXTZCFMKMYEIEP-UHFFFAOYSA-N |