N'-(4-nitrophenyl)-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Chemical Structure Depiction of
N'-(4-nitrophenyl)-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
N'-(4-nitrophenyl)-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V030-7671 |
| Compound Name: | N'-(4-nitrophenyl)-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C25 H28 N4 O8 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(CN(CC2CCCO2)C(Nc2ccc(cc2)[N+]([O-])=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4126 |
| logD: | 3.4125 |
| logSw: | -3.8061 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.043 |
| InChI Key: | QQNGBVKVVRIZCP-HXUWFJFHSA-N |