CCCCNC1=C(C=C2C3CC(C2=C1)CN(C3)C(=O)OC(C)(C)C)N
الاسم: tert-butyl 4-amino-5-(butylamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-10-carboxylate
SMILES: CCCCNC1=C(C=C2C3CC(C2=C1)CN(C3)C(=O)OC(C)(C)C)N

Molecular Processing

Molecular formula
C20H31N3O2
Molecular weight
345.49
Exact mass
345.2416
XLogP
4.3
TPSA
67.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
102.16

Supplementary Information

InChIKey: POWGRJXKUPLNCR-UHFFFAOYSA-N
مرادفات
SCHEMBL4415952POWGRJXKUPLNCR-UHFFFAOYSA-N4-Butylamino-5-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester4-butylamino-5-amino-10-aza-tricyclo[6.3.1.02.7-]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester4-butylamino-5-amino-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester
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