이름: ethyl 8-cyclohexyl-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILES:
CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)SC)C3CCCCC3Molecular Processing
Molecular formula
C17H21N3O3S
Molecular weight
347.44
Exact mass
347.1304
XLogP
3.2
TPSA
74.08
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
93.66
Supplementary Information
InChIKey: LDPQTMPWDSXTDF-UHFFFAOYSA-N
동의어
SCHEMBL3290260LDPQTMPWDSXTDF-UHFFFAOYSA-N8-Cyclohexyl-2-methylsulfanyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
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