ethyl 2-[(1-benzyl-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-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-0724 |
| Compound Name: | ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4772 |
| logD: | -0.1298 |
| logSw: | -4.4705 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.602 |
| InChI Key: | KTZJGIGEKIEGLG-CQSZACIVSA-N |