ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D487-0320 |
| Compound Name: | ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C16 H18 N4 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1cnnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9101 |
| logD: | -0.2197 |
| logSw: | -2.422 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.475 |
| InChI Key: | SYXJBDNQZVQUBI-UHFFFAOYSA-N |