N-[(1,4-dioxan-2-yl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(1,4-dioxan-2-yl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(1,4-dioxan-2-yl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0912 |
| Compound Name: | N-[(1,4-dioxan-2-yl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 402.42 |
| Molecular Formula: | C20 H23 F N4 O4 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCC3COCCO3)=O)nn2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3606 |
| logD: | 0.3606 |
| logSw: | -2.0205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.49 |
| InChI Key: | MVZNQXOULQCPLP-INIZCTEOSA-N |