2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1617 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C20 H22 N6 O3 S2 |
| Smiles: | Cc1nnc(SCC2=CC(NC(=N2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8283 |
| logD: | 0.4198 |
| logSw: | -2.6889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.419 |
| InChI Key: | PFPHBWSUNDRTBF-UHFFFAOYSA-N |