Name: ethyl 8-cyclohexyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILES:
CCOC(=O)C1CN(C2=NC(=NC=C2C1=O)SC)C3CCCCC3Molecular Processing
Molecular formula
C17H23N3O3S
Molecular weight
349.46
Exact mass
349.146
XLogP
2.71
TPSA
72.39
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
92.49
Supplementary Information
InChIKey: BNFFYWGBKUMGHS-UHFFFAOYSA-N
Synonyms
SCHEMBL3291780BNFFYWGBKUMGHS-UHFFFAOYSA-N8-Cyclohexyl-2-methylsulfanyl-5-oxo-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Involved in 5 reactions→