7-(3-fluoro-4-methoxybenzoyl)-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-(3-fluoro-4-methoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(3-fluoro-4-methoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0060 |
| Compound Name: | 7-(3-fluoro-4-methoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 306.29 |
| Molecular Formula: | C14 H15 F N4 O3 |
| Smiles: | COc1ccc(cc1F)C(N1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8529 |
| logD: | 0.8465 |
| logSw: | -1.96 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.204 |
| InChI Key: | ZBOOMLOCTOFVET-UHFFFAOYSA-N |