2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | S336-0269 |
| Compound Name: | 2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(N2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5818 |
| logD: | 3.5818 |
| logSw: | -3.5363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.665 |
| InChI Key: | PWBIWKOWSWTDJT-UHFFFAOYSA-N |