4'-[3-(ethylsulfanyl)-5-hydroxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Chemical Structure Depiction of
4'-[3-(ethylsulfanyl)-5-hydroxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
4'-[3-(ethylsulfanyl)-5-hydroxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Compound characteristics
| Compound ID: | 5218-3133 |
| Compound Name: | 4'-[3-(ethylsulfanyl)-5-hydroxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CCSc1nnc(n1C1=C(C(Nc2cccc(C)c2)=O)C2(CCCCC2)Cc2ccccc12)O |
| Stereo: | ACHIRAL |
| logP: | 5.4542 |
| logD: | 3.7667 |
| logSw: | -4.9793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.219 |
| InChI Key: | RABULAQJRDZKBR-UHFFFAOYSA-N |