Название: ethyl 4-(8-chloro-5-methylchroman-6-yl)-9-cyclopropyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-3-carboxylate
SMILES:
CCOC(=O)c1c(C)nc2c(c3c(n2C2CC2)CCCC3)c1-c1cc(Cl)c2c(c1C)CCCO2Molecular Processing
Molecular formula
C28H31ClN2O3
Molecular weight
479.02
Exact mass
478.2023
XLogP
6.69
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
134.34
Supplementary Information
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