N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N'-(4-methoxyphenyl)guanidine
Chemical Structure Depiction of
N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N'-(4-methoxyphenyl)guanidine
N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N'-(4-methoxyphenyl)guanidine
Compound characteristics
Compound ID: | 6173-0049 |
Compound Name: | N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N'-(4-methoxyphenyl)guanidine |
Molecular Weight: | 438.53 |
Molecular Formula: | C20 H18 N6 O2 S2 |
Smiles: | COc1ccc(cc1)NC(=N)NC1NC(CSc2nc3ccccc3s2)=CC(N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.1134 |
logD: | 2.7707 |
logSw: | -4.2826 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 89.011 |
InChI Key: | VURAERUEFQROEA-UHFFFAOYSA-N |