N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | C200-3783 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 501.05 |
| Molecular Formula: | C25 H29 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1C)C1C(=NC2(CCN(CC2)C(Nc2cc(c(cc2OC)OC)[Cl])=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.1486 |
| logD: | 5.1482 |
| logSw: | -5.7168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.193 |
| InChI Key: | IBAHSQDBOORCKA-UHFFFAOYSA-N |