N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2810 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C21 H15 N7 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc(c3cccc(c3)[N+]([O-])=O)nc3ncnn13)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8868 |
| logD: | 2.3647 |
| logSw: | -4.3765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.966 |
| InChI Key: | NEVUXTBVOFBFII-UHFFFAOYSA-N |