2-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
AlkaPlorer ID: AK359466
Synonym: None
IUPAC Name: 2-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
Structure
SMILES: COCC1CCCN1C(=O)CCC1CNC(=O)C2C(CCN2CC2=CC=C(C(F)(F)F)C=C2)N1C
InChI: InChI=1S/C25H35F3N4O3/c1-30-19(9-10-22(33)32-12-3-4-20(32)16-35-2)14-29-24(34)23-21(30)11-13-31(23)15-17-5-7-18(8-6-17)25(26,27)28/h5-8,19-21,23H,3-4,9-16H2,1-2H3,(H,29,34)
InChIKey: CUAUWJNSGUNOTL-UHFFFAOYSA-N
Reference
Sesquiterpene coumarins from the roots of Ferula assa-foetida
PubChem CID: 75111956
COCONUT: CNP0441804.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 496.5740000000002
TPSA？: 65.12
MolLogP？: 2.496100000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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