propyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-0487 |
| Compound Name: | propyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C16 H17 N O4 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1N1C(C=CC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1306 |
| logD: | 3.1306 |
| logSw: | -3.0678 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.744 |
| InChI Key: | CHCKCIKQXZSZGT-UHFFFAOYSA-N |