N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-0448 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C23 H22 N6 O2 S2 |
| Smiles: | Cc1ccc2c(c1)nc([nH]2)SCc1nc(CCC(Nc2c(C#N)c3CCCCc3s2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1744 |
| logD: | 2.8555 |
| logSw: | -4.4324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.234 |
| InChI Key: | HWAHMFFBRXTCGC-UHFFFAOYSA-N |