(14aR)-N-(4-fluorophenyl)-10-(2-fluoropyridin-3-yl)-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
AlkaPlorer ID: AK582821
Synonym: None
IUPAC Name: (14aR)-N-(4-fluorophenyl)-10-(2-fluoropyridin-3-yl)-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
Structure
SMILES: O=C1CN2CCN(C(=O)NC3=CC=C(F)C=C3)C[C@@H]2COC2=CC=C(C3=CC=CN=C3F)C=C2N1
InChI: InChI=1S/C25H23F2N5O3/c26-17-4-6-18(7-5-17)29-25(34)32-11-10-31-14-23(33)30-21-12-16(20-2-1-9-28-24(20)27)3-8-22(21)35-15-19(31)13-32/h1-9,12,19H,10-11,13-15H2,(H,29,34)(H,30,33)/t19-/m1/s1
InChIKey: YNILCQMWWQPOLT-LJQANCHMSA-N
Reference
PubChem CID: 138990358
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 479.4870000000002
TPSA？: 86.80000000000001
MolLogP？: 3.5760000000000014
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|