COC(=O)[C@@H]1C[C@@H](O)[C@H](Nc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc3n2)C1
Name: methyl (1S,3R,4R)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-4-hydroxycyclopentane-1-carboxylate
SMILES: COC(=O)[C@@H]1C[C@@H](O)[C@H](Nc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc3n2)C1

Molecular Processing

Molecular formula
C23H23Cl2N3O5
Molecular weight
492.36
Exact mass
491.1015
XLogP
4.35
TPSA
102.8
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
126.26

Supplementary Information

InChIKey: VMOFTFTYAZSNPJ-APHBMKBZSA-N
Synonyme
SCHEMBL16668159VMOFTFTYAZSNPJ-APHBMKBZSA-N(1S,3R,4R)-methyl 3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)-4-hydroxycyclopentanecarboxylate
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