N-[3-(dimethylamino)propyl]-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[3-(dimethylamino)propyl]-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[3-(dimethylamino)propyl]-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0506 |
| Compound Name: | N-[3-(dimethylamino)propyl]-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C20 H28 F N5 O2 |
| Smiles: | CN(C)CCCNC(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6939 |
| logD: | -0.7781 |
| logSw: | -2.1567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.612 |
| InChI Key: | XUJPCUHSBACKKQ-KRWDZBQOSA-N |