N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-methylbutanamide
N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V005-9222 |
| Compound Name: | N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-methylbutanamide |
| Molecular Weight: | 491.09 |
| Molecular Formula: | C26 H35 Cl N2 O3 S |
| Smiles: | CC(C)CC(N(CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2601 |
| logD: | 6.2601 |
| logSw: | -6.1895 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.137 |
| InChI Key: | QVATUORLTWMXBH-QFIPXVFZSA-N |