1-benzyl-3-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0528 |
| Compound Name: | 1-benzyl-3-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | COc1ccc(cc1C(N1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7749 |
| logD: | 2.7729 |
| logSw: | -3.4812 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.199 |
| InChI Key: | MBRXMLLPQGGVGC-NRFANRHFSA-N |