6-tert-butyl-2-{[(5-iodothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
6-tert-butyl-2-{[(5-iodothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
6-tert-butyl-2-{[(5-iodothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-2491 |
| Compound Name: | 6-tert-butyl-2-{[(5-iodothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 454.39 |
| Molecular Formula: | C18 H19 I N2 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(/N=C/c3ccc(s3)I)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6313 |
| logD: | 6.6313 |
| logSw: | -5.9775 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 26.1554 |
| InChI Key: | PWSSHVCEKXFKFT-LLVKDONJSA-N |