5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0098 |
| Compound Name: | 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C18 H18 Cl N5 O2 S |
| Smiles: | [H]N(C1=C(C)N(C)N(C1=O)c1ccccc1)C(c1c(cnc(n1)SCC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3145 |
| logD: | 0.5761 |
| logSw: | -3.0925 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.296 |
| InChI Key: | OVFOTWKTDWLKBP-UHFFFAOYSA-N |