1-(2-methoxyethyl)-3-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-(2-methoxyethyl)-3-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-(2-methoxyethyl)-3-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-2155 |
| Compound Name: | 1-(2-methoxyethyl)-3-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C19 H26 F3 N3 O4 S |
| Smiles: | COCCN1CCC(C1=O)N1CCCN(CC1)S(c1ccc(cc1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7935 |
| logD: | 1.793 |
| logSw: | -2.5713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.224 |
| InChI Key: | UVIAVCXZZOENSH-KRWDZBQOSA-N |