7-[(4-fluorophenoxy)acetyl]-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-[(4-fluorophenoxy)acetyl]-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(4-fluorophenoxy)acetyl]-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1141 |
| Compound Name: | 7-[(4-fluorophenoxy)acetyl]-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 364.37 |
| Molecular Formula: | C17 H21 F N4 O4 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6105 |
| logD: | 0.6105 |
| logSw: | -1.3065 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.536 |
| InChI Key: | UFZSVJBRHIVAKW-UHFFFAOYSA-N |