3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Compound characteristics
| Compound ID: | J021-3331 |
| Compound Name: | 3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C22 H19 Cl N6 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CCc1nc(CSc3nc4cc(ccc4[nH]3)[Cl])no1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3944 |
| logD: | 3.0755 |
| logSw: | -4.8599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.234 |
| InChI Key: | OLJNEIQICRFLRD-UHFFFAOYSA-N |