CC(C)(C)N1C=C(C2=CN=CN=C21)C(=O)C3=CC(=CN=C3)Br
이름: (5-bromo-3-pyridinyl)-(7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
SMILES: CC(C)(C)N1C=C(C2=CN=CN=C21)C(=O)C3=CC(=CN=C3)Br

Molecular Processing

Molecular formula
C16H15BrN4O
Molecular weight
359.23
Exact mass
358.0429
XLogP
3.57
TPSA
60.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.89

Supplementary Information

InChIKey: RTMHNXJAUWQXQD-UHFFFAOYSA-N
동의어
SCHEMBL12985392RTMHNXJAUWQXQD-UHFFFAOYSA-N(5-bromopyridin-3-yl)(7-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
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