methyl 3-nitro-4-[(7H-purin-6-yl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-4-[(7H-purin-6-yl)sulfanyl]benzoate
methyl 3-nitro-4-[(7H-purin-6-yl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8008-8053 |
| Compound Name: | methyl 3-nitro-4-[(7H-purin-6-yl)sulfanyl]benzoate |
| Molecular Weight: | 331.31 |
| Molecular Formula: | C13 H9 N5 O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Sc1c2c(ncn1)nc[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6136 |
| logD: | 2.6107 |
| logSw: | -3.0836 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.789 |
| InChI Key: | VWUFMFQTOKJJEW-UHFFFAOYSA-N |