N'-(4-chlorophenyl)-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N'-(4-chlorophenyl)-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)urea
N'-(4-chlorophenyl)-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | D169-0475 |
| Compound Name: | N'-(4-chlorophenyl)-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C21 H21 Cl N4 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(CN(CC=C)C(Nc2ccc(cc2)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.4613 |
| logD: | 4.4613 |
| logSw: | -4.6804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.853 |
| InChI Key: | NIDSHNVYBZYEHR-UHFFFAOYSA-N |