N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-1098 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(Cn3c(cnc3C)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.671 |
| logD: | 1.3182 |
| logSw: | -2.8579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.609 |
| InChI Key: | QKPMKHQUVCRJOC-SECBINFHSA-N |