N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y207-1281 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C15 H15 N3 O2 S |
| Smiles: | Cc1c(C(Nc2c(C#N)c3CCCCc3s2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7582 |
| logD: | -0.6066 |
| logSw: | -3.1394 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.139 |
| InChI Key: | XXIUITBOTJPIMT-UHFFFAOYSA-N |