3-[4-(2-chloro-5-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2-chloro-5-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
3-[4-(2-chloro-5-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1496 |
| Compound Name: | 3-[4-(2-chloro-5-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 393.89 |
| Molecular Formula: | C20 H25 Cl F N3 O2 |
| Smiles: | C1CN(CCN(C1)C(c1cc(ccc1[Cl])F)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.567 |
| logD: | 2.4652 |
| logSw: | -3.4798 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.092 |
| InChI Key: | UHODSAGHUBDRCS-SFHVURJKSA-N |