N-(2,6-dichlorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,6-dichlorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
N-(2,6-dichlorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-9634 |
| Compound Name: | N-(2,6-dichlorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 371.29 |
| Molecular Formula: | C15 H16 Cl2 N4 O S |
| Smiles: | C1CCc2nnc(n2CC1)SCC(Nc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4292 |
| logD: | 3.419 |
| logSw: | -3.6957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.598 |
| InChI Key: | WIJJXJZDQZMADX-UHFFFAOYSA-N |