N'-[4-(methylsulfanyl)phenyl]-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Chemical Structure Depiction of
N'-[4-(methylsulfanyl)phenyl]-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
N'-[4-(methylsulfanyl)phenyl]-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V030-7636 |
| Compound Name: | N'-[4-(methylsulfanyl)phenyl]-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C26 H31 N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(CN(CC2CCCO2)C(Nc2ccc(cc2)SC)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2062 |
| logD: | 4.2062 |
| logSw: | -4.2831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.661 |
| InChI Key: | BJPAKFQOEJFPNX-HXUWFJFHSA-N |