3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V002-3101 |
| Compound Name: | 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 553.12 |
| Molecular Formula: | C30 H33 Cl N2 O4 S |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(c1cccc(c1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8815 |
| logD: | 5.8815 |
| logSw: | -5.9254 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.756 |
| InChI Key: | ZBFPBDWGHNSPPE-UHFFFAOYSA-N |