2-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0102 |
| Compound Name: | 2-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C27 H34 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCC2(CC1)N=C(C(=N2)SC)c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4844 |
| logD: | 5.4843 |
| logSw: | -5.3024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.753 |
| InChI Key: | HBNJDAFCBSSCOM-UHFFFAOYSA-N |