6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4802-0051 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C22 H18 N6 O2 S2 |
| Smiles: | Cc1c2cc(ccc2nc(NC2NC(CSc3nc4ccccc4s3)=CC(N=2)=O)n1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7148 |
| logD: | 3.9584 |
| logSw: | -4.5956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.314 |
| InChI Key: | NUPGVPQLKTUDPD-UHFFFAOYSA-N |