2-[3-(3-hydroxypyrrolidin-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: AK379386
Synonym: None
IUPAC Name: 2-[3-(3-hydroxypyrrolidin-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: CN1C(CCC(=O)N2CCC(O)C2)CNC(=O)C2C1CCN2CC1=CC=C(C(F)(F)F)C=C1
InChI: InChI=1S/C23H31F3N4O3/c1-28-17(6-7-20(32)29-10-8-18(31)14-29)12-27-22(33)21-19(28)9-11-30(21)13-15-2-4-16(5-3-15)23(24,25)26/h2-5,17-19,21,31H,6-14H2,1H3,(H,27,33)
InChIKey: FNVMESZJCILHKQ-UHFFFAOYSA-N
Reference
Marine natural products: metabolites of marine invertebrates
PubChem CID: 75111996
COCONUT: CNP0444856.1
Source
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Properties Information
Molecule Weight: 468.5200000000002
TPSA？: 76.11999999999999
MolLogP？: 1.4519000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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