2-(3-{[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-(3-{[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(3-{[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4449-0265 |
| Compound Name: | 2-(3-{[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H19 N3 O2 S2 |
| Smiles: | Cc1cc(\C=C2/C(N(CC#C)C(=O)S2)=O)c(C)n1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8353 |
| logD: | 4.8353 |
| logSw: | -4.6534 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.556 |
| InChI Key: | DKOGSIZCTXWAMX-UHFFFAOYSA-N |