3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-ethylbenzamide
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-ethylbenzamide
3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-ethylbenzamide
Compound characteristics
| Compound ID: | V022-0907 |
| Compound Name: | 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-ethylbenzamide |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C27 H29 Cl N2 O3 S |
| Smiles: | CCN(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1276 |
| logD: | 6.1276 |
| logSw: | -6.0862 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.098 |
| InChI Key: | KOLRPUKXMQOSQJ-QHCPKHFHSA-N |