N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide
Chemical Structure Depiction of
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide
Compound characteristics
| Compound ID: | Y508-9507 |
| Compound Name: | N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)CCOc1ccc(cc1)C(Nc1c(C#N)c2CC(C)(C)OCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2231 |
| logD: | 2.8996 |
| logSw: | -5.075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.216 |
| InChI Key: | PAINUDHOTVJQRF-UHFFFAOYSA-N |