N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-methyl-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-methyl-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-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E635-0055 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CN1CCc2c(CNC(Nc3ccc4c(c3)OCCO4)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.7588 |
| logD: | 0.995 |
| logSw: | -3.3614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.072 |
| InChI Key: | VVMJBTMDJXADJP-UHFFFAOYSA-N |