N'-tert-butyl-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}urea
Chemical Structure Depiction of
N'-tert-butyl-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}urea
N'-tert-butyl-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}urea
Compound characteristics
Compound ID: | V017-9956 |
Compound Name: | N'-tert-butyl-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}urea |
Molecular Weight: | 527.73 |
Molecular Formula: | C29 H41 N3 O4 S |
Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(NC(C)(C)C)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.4562 |
logD: | 5.4562 |
logSw: | -5.2446 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.907 |
InChI Key: | NJZFTRZFUDAVQY-UHFFFAOYSA-N |