N'-tert-butyl-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea
N'-tert-butyl-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea
Compound characteristics
| Compound ID: | V022-0323 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea |
| Molecular Weight: | 501.69 |
| Molecular Formula: | C27 H39 N3 O4 S |
| Smiles: | CCC(C)CN(CC(N1CCc2c(ccs2)C1COc1ccccc1OC)=O)C(NC(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6933 |
| logD: | 5.6933 |
| logSw: | -5.4253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.242 |
| InChI Key: | IQUMBIFPIYRAEF-UHFFFAOYSA-N |