methyl 3-{[2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
methyl 3-{[2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8016-3077 |
| Compound Name: | methyl 3-{[2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C32 H34 N4 O4 S |
| Smiles: | COC(c1cccc(CNC(CSc2nnc(COc3ccc(cc3)C3CCCCC3)n2c2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1359 |
| logD: | 6.1359 |
| logSw: | -5.3732 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.754 |
| InChI Key: | NVJUOMWFXKTBSS-UHFFFAOYSA-N |