N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]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'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V014-2983 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C31 H37 N3 O4 S |
| Smiles: | Cc1ccc(cc1)NC(N(CC1CCCO1)CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1241 |
| logD: | 6.1241 |
| logSw: | -5.3459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.576 |
| InChI Key: | YZFBQQQAMGJNPD-UHFFFAOYSA-N |