1-(cyclopropylmethyl)-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-(cyclopropylmethyl)-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-(cyclopropylmethyl)-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1737 |
| Compound Name: | 1-(cyclopropylmethyl)-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H26 F3 N3 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1cccc(c1)C(F)(F)F)(=O)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7178 |
| logD: | 2.7081 |
| logSw: | -3.2215 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.155 |
| InChI Key: | PPHQAFHQAOMXBQ-SFHVURJKSA-N |