[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-yl](pyrrolidin-1-yl)methanone
[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-1943 |
| Compound Name: | [5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C28 H33 N5 O5 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(C(N2CCCC2)=O)o1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.3938 |
| logD: | 3.6705 |
| logSw: | -4.2612 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.607 |
| InChI Key: | QNZUMQOGBZHAOR-UHFFFAOYSA-N |