1-benzyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0620 |
| Compound Name: | 1-benzyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CCC(C)C(N1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1758 |
| logD: | 2.1599 |
| logSw: | -2.3195 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.84 |
| InChI Key: | HYBXVKQYHCJYKO-UHFFFAOYSA-N |