N-(2,4-dimethoxyphenyl)-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(2,4-dimethoxyphenyl)-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0157 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CCCSC1C(c2ccccc2)=NC2(CCN(CC2)C(Nc2ccc(cc2OC)OC)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.0562 |
| logD: | 4.056 |
| logSw: | -4.0656 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.106 |
| InChI Key: | XMXWUJNOJQKNJR-UHFFFAOYSA-N |