diethyl 2-{[4-(ethoxycarbonyl)-2-nitrophenyl]sulfanyl}butanedioate
Chemical Structure Depiction of
diethyl 2-{[4-(ethoxycarbonyl)-2-nitrophenyl]sulfanyl}butanedioate
diethyl 2-{[4-(ethoxycarbonyl)-2-nitrophenyl]sulfanyl}butanedioate
Compound characteristics
| Compound ID: | K781-3147 |
| Compound Name: | diethyl 2-{[4-(ethoxycarbonyl)-2-nitrophenyl]sulfanyl}butanedioate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C17 H21 N O8 S |
| Smiles: | CCOC(CC(C(=O)OCC)Sc1ccc(cc1[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8986 |
| logD: | 3.8986 |
| logSw: | -4.1233 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 94.985 |
| InChI Key: | ZVXFCHVLSHDPJC-AWEZNQCLSA-N |