{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | E014-0043 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)s2)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4119 |
| logD: | 4.2271 |
| logSw: | -4.5115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.453 |
| InChI Key: | OQEIQPPEOIPEGI-UHFFFAOYSA-N |