ethyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C226-4310 |
| Compound Name: | ethyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C19 H23 Br N4 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0298 |
| logD: | 0.2324 |
| logSw: | -3.3476 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.854 |
| InChI Key: | WVFRQGDGTNARND-UHFFFAOYSA-N |