N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)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-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea
N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea
Compound characteristics
| Compound ID: | V023-3036 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)urea |
| Molecular Weight: | 520.13 |
| Molecular Formula: | C27 H38 Cl N3 O3 S |
| Smiles: | CCC(C)CN(CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)C(NC(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1012 |
| logD: | 7.1012 |
| logSw: | -6.4759 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.525 |
| InChI Key: | FSKQXXUXMHRREJ-UHFFFAOYSA-N |