N-[(4-bromophenyl)methyl]-N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)acetamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)acetamide
N-[(4-bromophenyl)methyl]-N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)acetamide
Compound characteristics
| Compound ID: | 8640-0055 |
| Compound Name: | N-[(4-bromophenyl)methyl]-N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)acetamide |
| Molecular Weight: | 419.34 |
| Molecular Formula: | C19 H19 Br N2 O2 S |
| Smiles: | CC(N(Cc1ccc(cc1)[Br])c1c(C#N)c2CC(C)(C)OCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 4.72 |
| logSw: | -4.7643 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.072 |
| InChI Key: | NQJWEHAYWBVTSL-UHFFFAOYSA-N |