6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0382 |
| Compound Name: | 6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C14 H16 N6 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(Cn3cnc(n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7039 |
| logD: | 0.38 |
| logSw: | -2.0675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.558 |
| InChI Key: | IPAMMJRDXUHXKX-SSDOTTSWSA-N |