N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-N'-(4-methylphenyl)urea
Chemical Structure Depiction of
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-N'-(4-methylphenyl)urea
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-N'-(4-methylphenyl)urea
Compound characteristics
| Compound ID: | V002-3074 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-N'-(4-methylphenyl)urea |
| Molecular Weight: | 533.73 |
| Molecular Formula: | C31 H39 N3 O3 S |
| Smiles: | CCC(C)CN(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.828 |
| logD: | 7.828 |
| logSw: | -5.6242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.194 |
| InChI Key: | KBJHYTYKIPIYRS-UHFFFAOYSA-N |