2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0003 |
| Compound Name: | 2-(3,4-dimethylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1ccc(cc1C)C1C(=NC2(CCN(CC2)C(Nc2ccccc2)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.262 |
| logD: | 4.262 |
| logSw: | -4.2023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.63 |
| InChI Key: | OOJBEOAXZHINSO-UHFFFAOYSA-N |