N-[(oxolan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-(propan-2-yl)urea
N-[(oxolan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V017-9887 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-(propan-2-yl)urea |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C28 H39 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(NC(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0084 |
| logD: | 5.0084 |
| logSw: | -4.3535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.058 |
| InChI Key: | JMQYYCGJQZJBTL-UHFFFAOYSA-N |