ethyl {1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrol-2-yl}acetate
Chemical Structure Depiction of
ethyl {1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrol-2-yl}acetate
ethyl {1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrol-2-yl}acetate
Compound characteristics
| Compound ID: | F788-0203 |
| Compound Name: | ethyl {1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrol-2-yl}acetate |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Smiles: | CCOC(Cc1c(c2c3CCCCc3sc2n1CC(Nc1ccc(C)cc1C)=O)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2365 |
| logD: | 6.2364 |
| logSw: | -5.5721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.718 |
| InChI Key: | MNENVOXMEWQGHX-UHFFFAOYSA-N |