ethyl (5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate
Chemical Structure Depiction of
ethyl (5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate
ethyl (5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate
Compound characteristics
| Compound ID: | 4449-1736 |
| Compound Name: | ethyl (5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | CCOC(CN1C(/C(=C\c2cc(C)n(c2C)c2c(C#N)c3CCCCc3s2)SC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4548 |
| logD: | 4.4548 |
| logSw: | -4.3534 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.736 |
| InChI Key: | YTZTYIPHXMFIGV-UHFFFAOYSA-N |