N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}urea
Compound characteristics
| Compound ID: | E635-0288 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}urea |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C)CCC(c1c2CCN(C)Cc2sc1n1cccc1)NC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4248 |
| logD: | 1.8651 |
| logSw: | -4.1877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.702 |
| InChI Key: | VJGABLCCOSXGIA-NRFANRHFSA-N |