6-methyl-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
6-methyl-2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-methyl-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: | C163-0514 |
| Compound Name: | 6-methyl-2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C16 H20 N6 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(CCCn3cnc(n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0563 |
| logD: | -0.7445 |
| logSw: | -2.0203 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.536 |
| InChI Key: | HXEIHZIYVZBTHT-SECBINFHSA-N |