methyl 4-(2-{[6-(2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8009-8327 |
| Compound Name: | methyl 4-(2-{[6-(2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 696.83 |
| Molecular Formula: | C34 H28 N6 O5 S3 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(COc2ccccc2)n1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2651 |
| logD: | 6.265 |
| logSw: | -5.4994 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.47 |
| InChI Key: | OOWNUUQEWBTQJW-UHFFFAOYSA-N |