methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate
methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate
Compound characteristics
| Compound ID: | 8018-0349 |
| Compound Name: | methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate |
| Molecular Weight: | 281.33 |
| Molecular Formula: | C13 H15 N O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SC1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1603 |
| logD: | 4.1603 |
| logSw: | -4.4002 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.779 |
| InChI Key: | AFIRPIUXGBESKU-UHFFFAOYSA-N |