ethyl 2-{2-[(4-cyclopropyl-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-cyclopropyl-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-cyclopropyl-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4905 |
| Compound Name: | ethyl 2-{2-[(4-cyclopropyl-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C20 H26 N4 O3 S2 |
| Smiles: | CCc1nnc(n1C1CC1)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6454 |
| logD: | 1.5942 |
| logSw: | -3.9656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.742 |
| InChI Key: | CZSQDZWIFXWPSR-UHFFFAOYSA-N |