N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0345 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | CCSC1C(c2ccc(C)c(C)c2)=NC2(CCN(CC2)C(Nc2cc(ccc2OC)OC)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.97 |
| logD: | 4.9699 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.106 |
| InChI Key: | MBYCSIHWYKTCNC-UHFFFAOYSA-N |