N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-fluorophenyl)guanidine
Chemical Structure Depiction of
N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-fluorophenyl)guanidine
N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-fluorophenyl)guanidine
Compound characteristics
| Compound ID: | Y021-1584 |
| Compound Name: | N''-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-fluorophenyl)guanidine |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C19 H15 F N6 O S2 |
| Smiles: | C(C1=CC(N=C(N1)/N=C(\N)Nc1ccc(cc1)F)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5602 |
| logD: | 3.5602 |
| logSw: | -3.8796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.811 |
| InChI Key: | QKRVBYBLZTXTJM-UHFFFAOYSA-N |