6-tert-butyl-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
6-tert-butyl-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
6-tert-butyl-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-6190 |
| Compound Name: | 6-tert-butyl-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(N3C(C=CC3=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7137 |
| logD: | 3.7137 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.753 |
| InChI Key: | ZLPOWERLRCXKMS-SNVBAGLBSA-N |