N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-2941 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CC(C)c1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.9048 |
| logD: | 2.2344 |
| logSw: | -4.1434 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.908 |
| InChI Key: | DFPPLONANWUOAM-UHFFFAOYSA-N |