CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)Br)OCC)C
CAS: 147676-70-8
이름: 5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)Br)OCC)C

Molecular Processing

Molecular formula
C17H19BrN4O2
Molecular weight
391.27
Exact mass
390.0691
XLogP
3.44
TPSA
72.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
97.43

Supplementary Information

InChIKey: YXGGLNHCWWWGIF-UHFFFAOYSA-N
동의어
147676-70-85-(5-BROMO-2-ETHOXYPHENYL)-1-METHYL-3-PROPYL-1H-PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE5-(5-Bromo-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-oneSCHEMBL7950877YXGGLNHCWWWGIF-UHFFFAOYSA-NDTXSID901122444MFCD35146243SY333803E876905-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(5-Bromo-2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(5-Bromo-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
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