N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E635-0706 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCN1CCc2c(CNC(Nc3ccc4c(c3)OCCO4)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.3414 |
| logD: | 1.4259 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.132 |
| InChI Key: | UHNKCFOKLPIOLQ-UHFFFAOYSA-N |