methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-2625 |
| Compound Name: | methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C14 H14 N4 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1c(c[nH]n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4232 |
| logD: | -3.0329 |
| logSw: | -2.7988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.761 |
| InChI Key: | YMHRQCRWXHSTLI-UHFFFAOYSA-N |