N-benzyl-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-benzyl-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0561 |
| Compound Name: | N-benzyl-2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 434.6 |
| Molecular Formula: | C25 H30 N4 O S |
| Smiles: | CCSC1C(c2ccc(C)c(C)c2)=NC2(CCN(CC2)C(NCc2ccccc2)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.518 |
| logD: | 4.518 |
| logSw: | -4.252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.952 |
| InChI Key: | SBYWRBLNCKITTO-UHFFFAOYSA-N |