N-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(2-methoxyphenyl)guanidine
Chemical Structure Depiction of
N-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(2-methoxyphenyl)guanidine
N-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(2-methoxyphenyl)guanidine
Compound characteristics
| Compound ID: | Y021-1702 |
| Compound Name: | N-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(2-methoxyphenyl)guanidine |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C20 H18 N6 O2 S2 |
| Smiles: | COc1ccccc1NC(=N)NC1NC(C=C(CSc2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0046 |
| logD: | 3.6531 |
| logSw: | -4.2389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.4 |
| InChI Key: | RAGSFLFWRDMTQY-UHFFFAOYSA-N |