CC(C)(C(=O)N)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)Cl)N4CCOCC4
CAS: 885699-28-5
Name: 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropanamide
SMILES: CC(C)(C(=O)N)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)Cl)N4CCOCC4

Molecular Processing

Molecular formula
C19H27ClN6O2S
Molecular weight
438.99
Exact mass
438.1605
XLogP
1.56
TPSA
87.82
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
115.58

Supplementary Information

InChIKey: QOXAEZZMQTYGNI-UHFFFAOYSA-N
Synonyms
SCHEMBL190600QOXAEZZMQTYGNI-UHFFFAOYSA-NDB-1492762-(4-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropanamide2-[4-[[2-Chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]isobutyramide885699-28-5
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Involved in 23 reactions→

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