Name: 3-(2-(benzyloxy)ethyl)-8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2H-chromen-2-one
SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)c(CCOCc3ccccc3)c(=O)oc2c1OC1CCCC1Molecular Processing
Molecular formula
C29H28Cl2N2O5
Molecular weight
555.46
Exact mass
554.1375
XLogP
7.33
TPSA
82.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
149.26
Supplementary Information
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