ethyl 2-{2-[(3-hydroxy-6-methyl-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-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D487-0248 |
| Compound Name: | ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C17 H20 N4 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1c(C)nnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1698 |
| logD: | 0.0401 |
| logSw: | -2.3965 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.892 |
| InChI Key: | XTGIUNSPNISATH-UHFFFAOYSA-N |