N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 2774-0193 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 390.38 |
| Molecular Formula: | C15 H14 N6 O5 S |
| Smiles: | Cc1c(c(nn1CC(Nc1c(C#N)c2CCCCc2s1)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1885 |
| logD: | 0.8534 |
| logSw: | -2.4434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.958 |
| InChI Key: | KOLRUXUHNGNMFD-UHFFFAOYSA-N |