methyl 3-({2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}methyl)benzoate
methyl 3-({2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}methyl)benzoate
Compound characteristics
| Compound ID: | 8016-3076 |
| Compound Name: | methyl 3-({2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}methyl)benzoate |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C13 H14 N4 O3 S2 |
| Smiles: | COC(c1cccc(CNC(CSc2nnc(N)s2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3036 |
| logD: | 1.3036 |
| logSw: | -2.1815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.275 |
| InChI Key: | DNWWLMJFWJSJIO-UHFFFAOYSA-N |