이름: 1-[4-(2-Chloro-7-methyl-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]-2-hydroxy-propan-1-one
SMILES:
Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(Cl)nc12Molecular Processing
Molecular formula
C19H26ClN5O3S
Molecular weight
439.97
Exact mass
439.1445
XLogP
1.51
TPSA
82.03
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
113.73
Supplementary Information
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