2-{5-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{5-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{5-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F625-0084 |
| Compound Name: | 2-{5-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C22 H29 N3 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)S(c1ccc(CC(N2CCCC2)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1521 |
| logD: | 4.1521 |
| logSw: | -4.2482 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.414 |
| InChI Key: | OQHDOJIRNBYMGK-UHFFFAOYSA-N |