1-benzyl-3-[4-(3-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(3-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(3-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0719 |
| Compound Name: | 1-benzyl-3-[4-(3-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C22 H26 Cl N3 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1cccc(c1)[Cl])(=O)=O)C1CCN(Cc2ccccc2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9425 |
| logD: | 2.9423 |
| logSw: | -3.3984 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.632 |
| InChI Key: | XMTIHYFNOHYIRH-NRFANRHFSA-N |