이름: 4-[cyclohexyl-(2-ethoxycarbonyl-ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)CCN(c1nc(SC)ncc1C(=O)OCC)C1CCCCC1Molecular Processing
Molecular formula
C19H29N3O4S
Molecular weight
395.53
Exact mass
395.1879
XLogP
3.47
TPSA
81.62
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
105.24
Supplementary Information
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