N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-1117 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0171 |
| logD: | 2.7261 |
| logSw: | -4.386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.897 |
| InChI Key: | XVDUYOGBHGLPQF-UHFFFAOYSA-N |