N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}urea
N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | V002-9545 |
| Compound Name: | N-benzyl-N'-tert-butyl-N-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C29 H31 Cl N4 O2 |
| Smiles: | Cc1c(CN(Cc2ccccc2)C(NC(C)(C)C)=O)c(n(c2cccc(c2)[Cl])n1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8407 |
| logD: | 6.8407 |
| logSw: | -6.2004 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.098 |
| InChI Key: | SXUGWMAFWSFRFO-UHFFFAOYSA-N |