1-{4-[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V002-2721 |
| Compound Name: | 1-{4-[5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 608.72 |
| Molecular Formula: | C30 H36 N6 O6 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 2.6 |
| logSw: | -3.4399 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.436 |
| InChI Key: | UUGNIVHFPSYPHG-UHFFFAOYSA-N |