N-(4-ethoxyphenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
N-(4-ethoxyphenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-7283 |
| Compound Name: | N-(4-ethoxyphenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6696 |
| logD: | 2.6695 |
| logSw: | -3.0406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.118 |
| InChI Key: | WFDUBYDKTQKRKD-UHFFFAOYSA-N |