5-benzyl-6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0075 |
| Compound Name: | 5-benzyl-6-methyl-2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCc1nc2ccc(cc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6807 |
| logD: | 3.5808 |
| logSw: | -4.0676 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.544 |
| InChI Key: | KJNCPLQVVFUDFJ-UHFFFAOYSA-N |