N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0296 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 338.77 |
| Molecular Formula: | C15 H16 Cl F N4 O2 |
| Smiles: | C1CCC2=NN(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9738 |
| logD: | 2.9701 |
| logSw: | -3.4988 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.665 |
| InChI Key: | WRKKEWZZVCIFGR-UHFFFAOYSA-N |