S-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl} ethanethioate
Chemical Structure Depiction of
S-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl} ethanethioate
S-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl} ethanethioate
Compound characteristics
| Compound ID: | Y512-4013 |
| Compound Name: | S-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl} ethanethioate |
| Molecular Weight: | 294.39 |
| Molecular Formula: | C13 H14 N2 O2 S2 |
| Smiles: | CC(=O)SCC(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.441 |
| logD: | 1.34 |
| logSw: | -2.469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.52 |
| InChI Key: | NYGPRJSYMIEQME-UHFFFAOYSA-N |