ethyl 4-methyl-3-{[2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
Chemical Structure Depiction of
ethyl 4-methyl-3-{[2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
ethyl 4-methyl-3-{[2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8018-3973 |
| Compound Name: | ethyl 4-methyl-3-{[2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]methyl}benzoate |
| Molecular Weight: | 509.63 |
| Molecular Formula: | C26 H31 N5 O4 S |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSc2nnc(CN3CCOCC3)n2c2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 3.2598 |
| logSw: | -3.2184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.826 |
| InChI Key: | CKMVPMBAZGVUTN-UHFFFAOYSA-N |