ethyl 4-[2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamido]benzoate
ethyl 4-[2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S336-0244 |
| Compound Name: | ethyl 4-[2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamido]benzoate |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2CCCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.845 |
| logD: | 2.845 |
| logSw: | -3.1584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.419 |
| InChI Key: | YXVICRQZGZMYPI-UHFFFAOYSA-N |