6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(7-ethyl-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(7-ethyl-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(7-ethyl-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6173-0310 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(7-ethyl-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C23 H20 N6 O S2 |
| Smiles: | CCc1ccc2c(C)nc(NC3NC(CSc4nc5ccccc5s4)=CC(N=3)=O)nc2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6872 |
| logD: | 4.9308 |
| logSw: | -5.5414 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.771 |
| InChI Key: | XCVHMTMAPGLIDF-UHFFFAOYSA-N |