6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4657-0413 |
| Compound Name: | 6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C13 H11 N5 O3 S |
| Smiles: | CC1=CC(NC(=N1)SCc1nc2ccc(cc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.958 |
| logD: | 1.1688 |
| logSw: | -2.7249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.963 |
| InChI Key: | FNJBIOBAMRNKJG-UHFFFAOYSA-N |