5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-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-[(pyridin-2-yl)methyl]furan-2-carboxamide
5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-9015 |
| Compound Name: | 5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 588.69 |
| Molecular Formula: | C30 H32 N6 O5 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(C(NCc2ccccn2)=O)o1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.1064 |
| logD: | 3.3831 |
| logSw: | -4.1531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.549 |
| InChI Key: | CPKFXIBMUMCEDP-UHFFFAOYSA-N |