benzyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamodithioate
Chemical Structure Depiction of
benzyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamodithioate
benzyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamodithioate
Compound characteristics
| Compound ID: | 1189-2753 |
| Compound Name: | benzyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamodithioate |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C19 H19 N3 O S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(=S)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6413 |
| logD: | 2.2073 |
| logSw: | -2.9993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6541 |
| InChI Key: | JYDPDUVSRPQFGM-UHFFFAOYSA-N |