CC1CN(CC2N1C3=C(C2)C=CC(=N3)CO)C(=O)OC(C)(C)C
الاسم: tert-butyl (9R,13R)-4-(hydroxymethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate
SMILES: CC1CN(CC2N1C3=C(C2)C=CC(=N3)CO)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C17H25N3O3
Molecular weight
319.41
Exact mass
319.1896
XLogP
1.94
TPSA
65.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
87.4

Supplementary Information

InChIKey: AFNGBOMWQSSHGJ-BXUZGUMPSA-N
مرادفات
SCHEMBL1988249AFNGBOMWQSSHGJ-BXUZGUMPSA-N(4R,9aR)-6-hydroxymethyl-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
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