N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9710 |
| Compound Name: | N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C15 H17 N5 O3 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1c(C)cc(C)cc1[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3707 |
| logD: | 2.3501 |
| logSw: | -2.8004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.427 |
| InChI Key: | FIEJXNVXERMXSI-UHFFFAOYSA-N |