methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8009-1365 |
| Compound Name: | methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C16 H15 N7 O4 S4 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(NC(CSc2nnc(N)s2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4532 |
| logD: | 2.452 |
| logSw: | -2.7791 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 133.737 |
| InChI Key: | HSJMYGUWRCWZCF-UHFFFAOYSA-N |