C1CS(=O)C2=C1N=C(N=C2Cl)N3CCN(CC3)C4=CC=C(C=C4)Cl
Name: (5R)-4-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILES: C1CS(=O)C2=C1N=C(N=C2Cl)N3CCN(CC3)C4=CC=C(C=C4)Cl

Molecular Processing

Molecular formula
C16H16Cl2N4OS
Molecular weight
383.3
Exact mass
382.0422
XLogP
2.77
TPSA
49.33
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
97.9

Supplementary Information

InChIKey: DKAYYBWNTDNIBJ-XMMPIXPASA-N
Synonyme
DKAYYBWNTDNIBJ-XMMPIXPASA-N(R)-4-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxide(R)-4-chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine-5-oxide
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