{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0325 |
| Compound Name: | {4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 407.28 |
| Molecular Formula: | C17 H15 Br N2 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9174 |
| logD: | 4.9174 |
| logSw: | -5.0255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.062 |
| InChI Key: | OGVSQTUEMUKWTF-UHFFFAOYSA-N |