2-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0582 |
| Compound Name: | 2-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=NC2(CCN(CC2)C(Nc2ccc(c(c2)OC)OC)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.6503 |
| logD: | 4.6503 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.89 |
| InChI Key: | ZIBSIXYZSDWLOO-UHFFFAOYSA-N |