Name: 8-cyclopentyl-2-methanesulfinyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(C)c2cnc(S(C)=O)nc2n(C2CCCC2)c1=OMolecular Processing
Molecular formula
C17H21N3O4S
Molecular weight
363.44
Exact mass
363.1253
XLogP
2.13
TPSA
91.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
94.33
Supplementary Information
Details werden geladen…
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