6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6186-3436 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C21 H16 N6 O S2 |
| Smiles: | Cc1c2ccccc2nc(NC2NC(CSc3nc4ccccc4s3)=CC(N=2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5747 |
| logD: | 3.8184 |
| logSw: | -4.3795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.771 |
| InChI Key: | BNZJPHJRYRCPBI-UHFFFAOYSA-N |