methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C795-0953 |
| Compound Name: | methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | COC(c1cc2c(ccs2)n1CC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1286 |
| logD: | 2.1285 |
| logSw: | -2.9663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.857 |
| InChI Key: | KEJGEIIKEULYSR-UHFFFAOYSA-N |