3-(3-{[(1,3-benzoxazol-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-{[(1,3-benzoxazol-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-{[(1,3-benzoxazol-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: | J021-0120 |
| Compound Name: | 3-(3-{[(1,3-benzoxazol-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: | 465.55 |
| Molecular Formula: | C22 H19 N5 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CCc1nc(CSc3nc4ccccc4o3)no1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5264 |
| logD: | 3.2074 |
| logSw: | -4.5742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.884 |
| InChI Key: | QWKGQSJEUSKONT-UHFFFAOYSA-N |