N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-2885 |
| Compound Name: | N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 496.33 |
| Molecular Formula: | C17 H17 I N6 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(c1c(cnn1C)I)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.3995 |
| logD: | 1.1926 |
| logSw: | -1.957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.137 |
| InChI Key: | NOFKPVFUVRGRCD-UHFFFAOYSA-N |