N-(4-methoxyphenyl)-N'-{3-methyl-1-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1-oxobutan-2-yl}urea
Chemical Structure Depiction of
N-(4-methoxyphenyl)-N'-{3-methyl-1-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1-oxobutan-2-yl}urea
N-(4-methoxyphenyl)-N'-{3-methyl-1-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1-oxobutan-2-yl}urea
Compound characteristics
| Compound ID: | V015-0381 |
| Compound Name: | N-(4-methoxyphenyl)-N'-{3-methyl-1-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1-oxobutan-2-yl}urea |
| Molecular Weight: | 488.67 |
| Molecular Formula: | C27 H44 N4 O4 |
| Smiles: | CC(CC(N1CCN(CC1C)C(C(C(C)C)NC(Nc1ccc(cc1)OC)=O)=O)=O)CC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4021 |
| logD: | 4.4021 |
| logSw: | -4.2176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.098 |
| InChI Key: | BHFHAASLJVCRLP-UHFFFAOYSA-N |