CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)O)C=N1
CAS: 911417-26-0
名称: tert-butyl 5-[[2-(3-hydroxyphenyl)quinazolin-4-yl]amino]indazole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)O)C=N1

Molecular Processing

Molecular formula
C26H23N5O3
Molecular weight
453.5
Exact mass
453.1801
XLogP
5.88
TPSA
102.16
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
131.29

Supplementary Information

InChIKey: ZQJFYAJEBJLURU-UHFFFAOYSA-N
同義語
911417-26-0tert-Butyl 5-((2-(3-hydroxyphenyl)quinazolin-4-yl)amino)-1H-indazole-1-carboxylate1H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]amino]-, 1,1-dimethylethyl estertert-butyl 5-[[2-(3-hydroxyphenyl)quinazolin-4-yl]amino]indazole-1-carboxylate1,1-Dimethylethyl 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]amino]-1H-indazole-1-carboxylatetert-Butyl 5-{[2-(3-hydroxyphenyl)quinazolin-4-yl]amino}-1H-indazole-1-carboxylate9BC8CE5HQ6SCHEMBL877451SCHEMBL31484236SCHEMBL31484237ZQJFYAJEBJLURU-UHFFFAOYSA-NC26H23N5O3DTXSID501123214CS-M2495MFCD28347542AKOS037650333CS-14653F789725tert-butyl 5-(2-(3-hydroxyphenyl)-quinazolin-4-ylamino)-1H-indazole-1-carboxylatetert-butyl 5-(2-(3-hydroxyphenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylatetert-Butyl5-((2-(3-hydroxyphenyl)quinazolin-4-yl)amino)-1H-indazole-1-carboxylate
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