NC12CCC(CC1)Cn1c2nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O
이름: 1-amino-4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one
SMILES: NC12CCC(CC1)Cn1c2nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O

Molecular Processing

Molecular formula
C20H20FN5O3
Molecular weight
397.41
Exact mass
397.155
XLogP
2.09
TPSA
120.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
100.48

Supplementary Information

InChIKey: DCZVMNYKAAGKOX-UHFFFAOYSA-N
동의어
SCHEMBL9905491DCZVMNYKAAGKOX-UHFFFAOYSA-N10-Amino-2-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-hydroxy-7,8,9,10-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-4(6H)-one
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