N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y503-1551 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 502.42 |
| Molecular Formula: | C22 H21 Cl2 N7 O S |
| Smiles: | CCn1cc(c2ccnc(n2)SCC(Nc2ccn(Cc3ccc(cc3[Cl])[Cl])n2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9943 |
| logD: | 3.9936 |
| logSw: | -4.3625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.381 |
| InChI Key: | VXNWHFNUWUZNCS-UHFFFAOYSA-N |