N-(5-ethyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-nitro-1-benzothiophene-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(5-ethyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-nitro-1-benzothiophene-2-carboxamide--hydrogen chloride (1/1)
N-(5-ethyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-nitro-1-benzothiophene-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F048-0208 |
| Compound Name: | N-(5-ethyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-nitro-1-benzothiophene-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Salt: | HCl |
| Smiles: | CCN1CCc2c(C1)sc(NC(c1cc3cc(ccc3s1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1528 |
| logD: | 4.1528 |
| logSw: | -4.0859 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.396 |
| InChI Key: | USRJJHQVWXAGEB-UHFFFAOYSA-N |