N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y206-8241 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 287.34 |
| Molecular Formula: | C14 H13 N3 O2 S |
| Smiles: | Cc1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.063 |
| logD: | 1.3926 |
| logSw: | -3.339 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.329 |
| InChI Key: | ZSSNHLJWIDWUJU-UHFFFAOYSA-N |