N-(3-methylbutyl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Chemical Structure Depiction of
N-(3-methylbutyl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
N-(3-methylbutyl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Compound characteristics
| Compound ID: | V023-0054 |
| Compound Name: | N-(3-methylbutyl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea |
| Molecular Weight: | 519.71 |
| Molecular Formula: | C30 H37 N3 O3 S |
| Smiles: | CC(C)CCN(CC(N1CCc2c(ccs2)C1COc1ccccc1C)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9933 |
| logD: | 6.9932 |
| logSw: | -5.7594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.172 |
| InChI Key: | MCSWUMLZQYXDEE-SANMLTNESA-N |