5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylfuran-2-carboxamide
Chemical Structure Depiction of
5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylfuran-2-carboxamide
5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylfuran-2-carboxamide
Compound characteristics
| Compound ID: | V002-2733 |
| Compound Name: | 5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylfuran-2-carboxamide |
| Molecular Weight: | 601.73 |
| Molecular Formula: | C32 H35 N5 O5 S |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4189 |
| logD: | 4.6956 |
| logSw: | -5.3222 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.743 |
| InChI Key: | XJTPYMVAZKFPHN-UHFFFAOYSA-N |