methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0837 |
| Compound Name: | methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | COC(c1c2CCCc2sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2506 |
| logD: | -1.377 |
| logSw: | -3.7875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.388 |
| InChI Key: | JASRLHQUFSIVEJ-UHFFFAOYSA-N |