N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}urea
N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | V001-0865 |
| Compound Name: | N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 533.07 |
| Molecular Formula: | C30 H33 Cl N4 O3 |
| Smiles: | Cc1c(CN(Cc2ccccc2)C(NC(C)(C)C)=O)c(n(c2cccc(c2)[Cl])n1)Oc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.8516 |
| logD: | 6.8516 |
| logSw: | -6.2154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.642 |
| InChI Key: | MJAKGBWFSAHKLW-UHFFFAOYSA-N |