CC12CC3=C(C(N1C(=O)N(C2=O)CCBr)C4=CC(=CC=C4)O)NC5=C3C=C(C=C5)OC
الاسم: 13-(2-bromoethyl)-10-(3-hydroxyphenyl)-4-methoxy-15-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
SMILES: CC12CC3=C(C(N1C(=O)N(C2=O)CCBr)C4=CC(=CC=C4)O)NC5=C3C=C(C=C5)OC

Molecular Processing

Molecular formula
C23H22BrN3O4
Molecular weight
484.35
Exact mass
483.0794
XLogP
3.95
TPSA
85.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
119.65

Supplementary Information

InChIKey: BETGTFJRGSAYNF-UHFFFAOYSA-N
مرادفات
SCHEMBL4166374BETGTFJRGSAYNF-UHFFFAOYSA-N(+)-2-(2-Bromo-ethyl)-10-(3-hydroxy-phenyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione(-)-2-(2-Bromo-ethyl)-10-(3-hydroxy-phenyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione(3aSR,10RS)-2-(2-Bromo-ethyl)-10-(3-hydroxy-phenyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione(3aSR,10RS)-2-(2-Bromoethyl)-10-(3-hydroxy-phenyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]-fluorene-1,3-dione
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