N~1~-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N~2~-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
Chemical Structure Depiction of
N~1~-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N~2~-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
N~1~-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N~2~-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
Compound characteristics
| Compound ID: | 8020-0490 |
| Compound Name: | N~1~-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N~2~-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CC1(C)Cc2c(C#N)c(NC(C(NCCc3ccc(c(c3)OC)OC)=O)=O)sc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 2.1352 |
| logD: | -3.6605 |
| logSw: | -3.0211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.585 |
| InChI Key: | CJEJWXKPJFVZMN-UHFFFAOYSA-N |