N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine
Chemical Structure Depiction of
N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine
N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine
Compound characteristics
Compound ID: | 5645-0263 |
Compound Name: | N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine |
Molecular Weight: | 422.53 |
Molecular Formula: | C20 H18 N6 O S2 |
Smiles: | Cc1ccc(cc1)NC(/N)=N/C1NC(CSc2nc3ccccc3s2)=CC(N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.9545 |
logD: | 3.9545 |
logSw: | -4.1462 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 82.811 |
InChI Key: | DNQBBFZKWCDKDV-UHFFFAOYSA-N |