N-(adamantan-1-yl)-N'-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(adamantan-1-yl)-N'-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}urea
N-(adamantan-1-yl)-N'-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | E635-0643 |
| Compound Name: | N-(adamantan-1-yl)-N'-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}urea |
| Molecular Weight: | 452.66 |
| Molecular Formula: | C26 H36 N4 O S |
| Smiles: | CCN1CCc2c(C(C)NC(NC34CC5CC(CC(C5)C4)C3)=O)c(n3cccc3)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2132 |
| logD: | 2.5 |
| logSw: | -4.9168 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.49 |
| InChI Key: | MPHGGDSYMPATTP-BALBBAFXSA-N |