propan-2-yl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
Chemical Structure Depiction of
propan-2-yl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
propan-2-yl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
Compound characteristics
| Compound ID: | K781-2200 |
| Compound Name: | propan-2-yl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate |
| Molecular Weight: | 325.38 |
| Molecular Formula: | C15 H19 N O5 S |
| Smiles: | CC(C)OC(c1ccc(c(c1)[N+]([O-])=O)SCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4939 |
| logD: | 3.4939 |
| logSw: | -3.9673 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.134 |
| InChI Key: | BYJRYXNISLQLCN-GFCCVEGCSA-N |