ethyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0447 |
| Compound Name: | ethyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.35 |
| Molecular Formula: | C18 H21 Br N4 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7332 |
| logD: | 1.3866 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.876 |
| InChI Key: | XZSVKRFDNWAHON-SECBINFHSA-N |