N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | C800-0842 |
| Compound Name: | N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C21 H24 N4 O S2 |
| Smiles: | CN1CCc2c(CNC(Nc3cccc(c3)SC)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.2472 |
| logD: | 2.4834 |
| logSw: | -4.2657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.249 |
| InChI Key: | AJRGSLQVGKHHFP-UHFFFAOYSA-N |