1-(cyclopropylmethyl)-3-{4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-(cyclopropylmethyl)-3-{4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-(cyclopropylmethyl)-3-{4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1478 |
| Compound Name: | 1-(cyclopropylmethyl)-3-{4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 425.45 |
| Molecular Formula: | C21 H26 F3 N3 O3 |
| Smiles: | C1CN(CCN(C1)C(c1ccccc1OC(F)(F)F)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8462 |
| logD: | 2.7445 |
| logSw: | -3.4927 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.116 |
| InChI Key: | YZCNJPKLOYTSKA-KRWDZBQOSA-N |