4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Chemical Structure Depiction of
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | D321-0469 |
| Compound Name: | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | CC1CCc2c(C#N)c(NC(CCCc3nc(c4ccc(cc4)[Cl])no3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4789 |
| logD: | 4.1657 |
| logSw: | -6.1582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.23 |
| InChI Key: | WEKULDGCPFUSPF-CYBMUJFWSA-N |