3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Compound characteristics
| Compound ID: | J021-0387 |
| Compound Name: | 3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C23 H22 N6 O2 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(CCc3nc(CSc4nc5ccccc5[nH]4)no3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1487 |
| logD: | 2.8297 |
| logSw: | -4.3511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.234 |
| InChI Key: | BRLJIJCAGJGFDS-CYBMUJFWSA-N |