3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-propylbenzamide
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-propylbenzamide
3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V022-0135 |
| Compound Name: | 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-propylbenzamide |
| Molecular Weight: | 511.08 |
| Molecular Formula: | C28 H31 Cl N2 O3 S |
| Smiles: | CCCN(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.581 |
| logD: | 6.581 |
| logSw: | -6.2355 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.351 |
| InChI Key: | IIYSXDTYLGGIGX-DEOSSOPVSA-N |