methyl 4-[2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-9505 |
| Compound Name: | methyl 4-[2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C18 H23 N5 O4 S |
| Smiles: | Cn1c(CN2CCOCC2)nnc1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7384 |
| logD: | 0.7374 |
| logSw: | -2.2301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.263 |
| InChI Key: | XYFRJPCNHIBNRZ-UHFFFAOYSA-N |