6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4,6-dimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4,6-dimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4,6-dimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6173-0066 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4,6-dimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C22 H18 N6 O S2 |
| Smiles: | Cc1ccc2c(c1)c(C)nc(NC1NC(CSc3nc4ccccc4s3)=CC(N=1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.1445 |
| logD: | 4.3881 |
| logSw: | -5.0337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.771 |
| InChI Key: | LCYYOBSZDJWCII-UHFFFAOYSA-N |