ethyl 2-({1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-2408 |
| Compound Name: | ethyl 2-({1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 502.98 |
| Molecular Formula: | C23 H23 Cl N4 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cc(nn1Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0719 |
| logD: | 0.4649 |
| logSw: | -5.5263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.602 |
| InChI Key: | SAYZUDCOQSAFGF-CYBMUJFWSA-N |