N-(adamantan-1-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-(adamantan-1-yl)-N'-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
N-(adamantan-1-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: | E635-0056 |
| Compound Name: | N-(adamantan-1-yl)-N'-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea |
| Molecular Weight: | 424.61 |
| Molecular Formula: | C24 H32 N4 O S |
| Smiles: | CN1CCc2c(CNC(NC34CC5CC(CC(C5)C4)C3)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.526 |
| logD: | 2.7621 |
| logSw: | -4.1104 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.267 |
| InChI Key: | JLRVGGWRLRHDAY-UHFFFAOYSA-N |