methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-7170 |
| Compound Name: | methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc(nn2Cc2ccccc2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.2033 |
| logD: | -1.445 |
| logSw: | -3.6325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.101 |
| InChI Key: | BRTFREMNCHBMJP-UHFFFAOYSA-N |