2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0441 |
| Compound Name: | 2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CCSC1C(c2ccc(C)c(C)c2)=NC2(CCN(CC2)C(Nc2ccc(cc2)OC)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.8729 |
| logD: | 4.8728 |
| logSw: | -4.5462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | IMBIXUNKZKDCAW-UHFFFAOYSA-N |