2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
AlkaPlorer ID: AK440163
Synonym: None
IUPAC Name: 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
Structure
SMILES: CN1C(CCC(=O)N2CCC(O)C2)CNC(=O)C2C1CCN2CC1=CC=CC(OC(F)(F)F)=C1
InChI: InChI=1S/C23H31F3N4O4/c1-28-16(5-6-20(32)29-9-7-17(31)14-29)12-27-22(33)21-19(28)8-10-30(21)13-15-3-2-4-18(11-15)34-23(24,25)26/h2-4,11,16-17,19,21,31H,5-10,12-14H2,1H3,(H,27,33)
InChIKey: KYPXCQUDUQXXAI-UHFFFAOYSA-N
Reference
Indole alkaloids from the leaves of Philippine Alstonia scholaris
PubChem CID: 75111995
COCONUT: CNP0454322.1
Source
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Properties Information
Molecule Weight: 484.5190000000002
TPSA？: 85.35
MolLogP？: 1.3317
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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