6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methylanilino)pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methylanilino)pyrimidin-4(1H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methylanilino)pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6173-0348 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methylanilino)pyrimidin-4(1H)-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C19 H16 N4 O S2 |
| Smiles: | Cc1ccc(cc1)NC1NC(CSc2nc3ccccc3s2)=CC(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7014 |
| logD: | 3.9414 |
| logSw: | -4.4207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.773 |
| InChI Key: | NJLRKGMVDZGDKU-UHFFFAOYSA-N |