N-(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-nitrobenzamide
N-(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | F048-0641 |
| Compound Name: | N-(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc2)Cc2c1nc(NC(c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9993 |
| logD: | 3.9993 |
| logSw: | -4.1909 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.653 |
| InChI Key: | DFUDMQHNSJHZKG-UHFFFAOYSA-N |