N-(2-methylbutyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-propylurea
Chemical Structure Depiction of
N-(2-methylbutyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-propylurea
N-(2-methylbutyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-propylurea
Compound characteristics
| Compound ID: | V022-0635 |
| Compound Name: | N-(2-methylbutyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N'-propylurea |
| Molecular Weight: | 499.72 |
| Molecular Formula: | C28 H41 N3 O3 S |
| Smiles: | CCCNC(N(CC(C)CC)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8301 |
| logD: | 6.8301 |
| logSw: | -5.6766 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.542 |
| InChI Key: | KAFGRTWWKABURM-UHFFFAOYSA-N |