1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0623 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccs1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5712 |
| logD: | 4.5712 |
| logSw: | -4.5461 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.344 |
| InChI Key: | CMJAOUAVGDFUFE-UHFFFAOYSA-N |