(4-{[(2-chlorophenyl)methyl]sulfanyl}-3-nitrophenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(2-chlorophenyl)methyl]sulfanyl}-3-nitrophenyl)(pyrrolidin-1-yl)methanone
(4-{[(2-chlorophenyl)methyl]sulfanyl}-3-nitrophenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0061 |
| Compound Name: | (4-{[(2-chlorophenyl)methyl]sulfanyl}-3-nitrophenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C18 H17 Cl N2 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4105 |
| logD: | 4.4105 |
| logSw: | -4.5097 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.062 |
| InChI Key: | JBTXIFPYKXOFJA-UHFFFAOYSA-N |