N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5,6-dimethyl-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-{[(5,6-dimethyl-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-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-3399 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C24 H24 N6 O2 S2 |
| Smiles: | Cc1cc2c(cc1C)[nH]c(n2)SCc1nc(CCC(Nc2c(C#N)c3CCCCc3s2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9142 |
| logD: | 3.5953 |
| logSw: | -4.702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.234 |
| InChI Key: | ALRBLXLJFJILHD-UHFFFAOYSA-N |