1-[(4-fluorophenyl)methyl]-3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-[(4-fluorophenyl)methyl]-3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0823 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C26 H27 F N4 O2 |
| Smiles: | C1CN(CCN(C1)C(c1c2ccccc2ccn1)=O)C1CCN(Cc2ccc(cc2)F)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4513 |
| logD: | 2.447 |
| logSw: | -2.5805 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.116 |
| InChI Key: | YOJGUIUQGFOJDY-UHFFFAOYSA-N |