N-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
N-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
N-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y509-9601 |
| Compound Name: | N-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 374.51 |
| Molecular Formula: | C18 H26 N6 O S |
| Smiles: | CCn1cc(/C=C/C(NC(N(C)Cc2c(C)nn(CC)c2C)=S)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3085 |
| logD: | 1.3084 |
| logSw: | -2.2436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.384 |
| InChI Key: | DEROVBKEDQGIBC-UHFFFAOYSA-N |