3-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
3-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1867 |
| Compound Name: | 3-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C19 H25 Cl F N3 O3 |
| Smiles: | COCCN1CCC(C1=O)N1CCCN(CC1)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1482 |
| logD: | 1.1427 |
| logSw: | -2.759 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.161 |
| InChI Key: | QRWQUXIMYKEYBX-KRWDZBQOSA-N |