1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7472-0036 |
| Compound Name: | 1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 491.66 |
| Molecular Formula: | C27 H33 N5 O2 S |
| Smiles: | Cc1ccc(cc1)OCCN1CCN(CC1)C(CSc1c(nc2ccccc2n1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9581 |
| logD: | 4.9537 |
| logSw: | -4.4513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.112 |
| InChI Key: | NFCVFNNQWNAWOP-UHFFFAOYSA-N |