S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
Chemical Structure Depiction of
S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
Compound characteristics
| Compound ID: | 0167-0165 |
| Compound Name: | S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C14 H14 N2 O4 S |
| Smiles: | CC(n1cc(C(C[N+]([O-])=O)SC(C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8259 |
| logD: | 1.768 |
| logSw: | -2.1334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.373 |
| InChI Key: | HUTFFQPOGUXDQI-AWEZNQCLSA-N |