methyl 2-{2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-4256 |
| Compound Name: | methyl 2-{2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3509 |
| logD: | 4.3372 |
| logSw: | -4.4335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.571 |
| InChI Key: | MJNZDUOWMCLCPD-UHFFFAOYSA-N |