N'-tert-butyl-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]urea
N'-tert-butyl-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V022-0246 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C28 H39 N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(NC(C)(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.367 |
| logD: | 5.367 |
| logSw: | -5.2712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.994 |
| InChI Key: | YXDOHMYNQOHFRN-UHFFFAOYSA-N |