N-(3-methoxyphenyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(3-methoxyphenyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0074 |
| Compound Name: | N-(3-methoxyphenyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCN(CC2)C(Nc2cccc(c2)OC)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.8108 |
| logD: | 3.8108 |
| logSw: | -3.9424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | NBLHTFDYMFRXSA-UHFFFAOYSA-N |