N'-(4-methylphenyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-[2-(pyrrolidin-1-yl)ethyl]urea
Chemical Structure Depiction of
N'-(4-methylphenyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-[2-(pyrrolidin-1-yl)ethyl]urea
N'-(4-methylphenyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-[2-(pyrrolidin-1-yl)ethyl]urea
Compound characteristics
| Compound ID: | V002-3303 |
| Compound Name: | N'-(4-methylphenyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-[2-(pyrrolidin-1-yl)ethyl]urea |
| Molecular Weight: | 574.79 |
| Molecular Formula: | C33 H42 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CCN1CCCC1)C(Nc1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4125 |
| logD: | 3.4352 |
| logSw: | -5.5492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.162 |
| InChI Key: | AHTCDWJLLAQSDK-PMERELPUSA-N |