N-(butan-2-yl)-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
N-(butan-2-yl)-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Compound characteristics
| Compound ID: | V022-0322 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[(2-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C29 H35 N3 O4 S |
| Smiles: | CCC(C)N(CC(N1CCc2c(ccs2)C1COc1ccccc1OC)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9022 |
| logD: | 5.9022 |
| logSw: | -5.4577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.152 |
| InChI Key: | XPGPPSZNJBYQAL-UHFFFAOYSA-N |