6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-8068 |
| Compound Name: | 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C19 H21 N7 O3 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C1NC(C=C(CSc2nnc(N)s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3469 |
| logD: | -0.0615 |
| logSw: | -2.4573 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.41 |
| InChI Key: | HPIDBAIOBXBJQG-UHFFFAOYSA-N |