6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 5161-0049 |
| Compound Name: | 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C23 H21 N7 O S |
| Smiles: | Cc1cc(C)c2c(c1)c(C)nc(NC1NC(CSc3nc4ccccc4[nH]3)=CC(N=1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3469 |
| logD: | 3.5906 |
| logSw: | -4.3453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.473 |
| InChI Key: | ZOTUVVXACAJXFJ-UHFFFAOYSA-N |