N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-nitrobenzamide
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3807-3102 |
| Compound Name: | N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | CC1(C)Cc2c(C#N)c(NC(c3ccc(cc3)[N+]([O-])=O)=O)sc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 3.4464 |
| logD: | 0.649 |
| logSw: | -3.9758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.179 |
| InChI Key: | HMAGLBATTCXCAA-UHFFFAOYSA-N |