methyl 6-tert-butyl-2-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0974 |
| Compound Name: | methyl 6-tert-butyl-2-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3c(cn(C)n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6702 |
| logD: | -1.6041 |
| logSw: | -4.2182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.655 |
| InChI Key: | ADXBSLKLDAUBRG-SNVBAGLBSA-N |