N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2092 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | Cc1c(c(C(Nc2c(C#N)c3CCC(Cc3s2)C(C)(C)C)=O)nn1C)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9022 |
| logD: | -0.1603 |
| logSw: | -4.2839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.913 |
| InChI Key: | OIMBUSLHFAYFDI-LLVKDONJSA-N |