2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0506 |
| Compound Name: | 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C15 H18 N6 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CCCn1cnc(n1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | -0.3777 |
| logD: | -1.1784 |
| logSw: | -1.7112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.536 |
| InChI Key: | BMLJZTHBEJTMGL-UHFFFAOYSA-N |