ethyl 2-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8019-5851 |
| Compound Name: | ethyl 2-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C15 H19 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(N)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9889 |
| logD: | -0.0624 |
| logSw: | -2.4351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.829 |
| InChI Key: | GXWWZTHBBHRQNT-UHFFFAOYSA-N |