Tìm theo
6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine
Thuốc Gốc
Small Molecule
CTHH: C30H27N5
PTK: 457.5689
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
457.5689
Monoisotopic mass
457.226645889
InChI
InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1
InChI Key
InChIKey=WFSFNKVFXLIZIY-MHZLTWQESA-N
IUPAC Name
6-[(3S)-3-benzylpiperazin-1-yl]-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Traditional IUPAC Name
6-[(3S)-3-benzylpiperazin-1-yl]-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
SMILES
C([[email protected]]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1
Độ hòa tan
1.57e-03 g/l
logP
5.47
logS
-5.5
pKa (Strongest Basic)
8.87
PSA
53.94 Å2
Refractivity
142.49 m3·mol-1
Polarizability
52.08 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
6
Bioavailability
1
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