4-[(naphthalen-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-[(naphthalen-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
4-[(naphthalen-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 4615-0024 |
| Compound Name: | 4-[(naphthalen-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C21 H15 N O4 S |
| Smiles: | C(C#CCSc1ccc2ccccc2c1)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7343 |
| logD: | 5.7343 |
| logSw: | -6.7627 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.125 |
| InChI Key: | MNLYDAQDJRAMFU-UHFFFAOYSA-N |