C1CN(CCN1CCCNC(=S)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4Cl
الاسم: 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
SMILES: C1CN(CCN1CCCNC(=S)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4Cl

Molecular Processing

Molecular formula
C22H27ClN4O2S
Molecular weight
447
Exact mass
446.1543
XLogP
3.61
TPSA
49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
126.38

Supplementary Information

InChIKey: PBPIZAXSNFAVTF-UHFFFAOYSA-N
مرادفات
SCHEMBL9559819PBPIZAXSNFAVTF-UHFFFAOYSA-NN-3-[4-(2-chlorophenyl)piperazin-1-yl]propyl-N '-(3,4-ethylenedioxyphenyl)thiourea
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