2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-9761 |
| Compound Name: | 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C15 H16 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC1CCCC(C=1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0544 |
| logD: | -0.9419 |
| logSw: | -3.3851 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.037 |
| InChI Key: | FNFIVBURIDEVAP-UHFFFAOYSA-N |