N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y205-3330 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3c(C)noc3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1921 |
| logD: | -0.1726 |
| logSw: | -3.582 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.139 |
| InChI Key: | VRXBBLZUPFKQLA-MRVPVSSYSA-N |