methyl 1-[(3S,3aR,6S,6aR)-6-{[(3-cyanophenyl)methyl]amino}-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazole-4-carboxylate
AlkaPlorer ID: AK336744
Synonym: None
IUPAC Name: methyl 1-[(3S,3aR,6S,6aR)-3-[(3-cyanophenyl)methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]triazole-4-carboxylate
Structure
SMILES: COC(=O)C1=CN([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC2=CC=CC(C#N)=C2)N=N1
InChI: InChI=1S/C18H19N5O4/c1-25-18(24)13-8-23(22-21-13)15-10-27-16-14(9-26-17(15)16)20-7-12-4-2-3-11(5-12)6-19/h2-5,8,14-17,20H,7,9-10H2,1H3/t14-,15-,16+,17+/m0/s1
InChIKey: ATOIBUNZWPNKJJ-MWDXBVQZSA-N
Source
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Properties Information
Molecule Weight: 369.3810000000001
TPSA？: 111.29
MolLogP？: 0.4334799999999995
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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