N-[(3R,8S,9aS)-3-(2-methylpropyl)-1,4-dioxo-hexahydro-2H-pyrido[1,2-a]piperazin-8-yl]-3-fluorobenzamide
AlkaPlorer ID: AK452271
Synonym: None
IUPAC Name: N-[(3R,8S,9aS)-3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-fluorobenzamide
Structure
SMILES: CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](NC(=O)C3=CC=CC(F)=C3)CCN2C1=O
InChI: InChI=1S/C19H24FN3O3/c1-11(2)8-15-19(26)23-7-6-14(10-16(23)18(25)22-15)21-17(24)12-4-3-5-13(20)9-12/h3-5,9,11,14-16H,6-8,10H2,1-2H3,(H,21,24)(H,22,25)/t14-,15+,16-/m0/s1
InChIKey: MARNCNDQWUIABG-XHSDSOJGSA-N
Reference
A Novel Antibacterial Iridoid and Triterpene from <i>Caiophora </i><i>c</i><i>oronata</i>
PubChem CID: 11866158
SuperNatural Ⅲ: SN0220519-02
Source
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Properties Information
Molecule Weight: 361.41700000000014
TPSA？: 78.51
MolLogP？: 1.4595999999999998
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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