N-(4-bromo-3-methylphenyl)-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-(4-bromo-3-methylphenyl)-N'-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
N-(4-bromo-3-methylphenyl)-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: | E635-0052 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C21 H23 Br N4 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(NCc1c2CCN(C)Cc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9609 |
| logD: | 3.197 |
| logSw: | -4.5419 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.249 |
| InChI Key: | DCGPGZSNTLUYKB-UHFFFAOYSA-N |