(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Thuốc Gốc
Small Molecule
CTHH: C17H16ClN3
PTK: 297.782
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
297.782
Monoisotopic mass
297.103275234
InChI
InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
InChI Key
InChIKey=HWVGILTYGZFGLR-KRWDZBQOSA-N
IUPAC Name
(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethan-1-amine
Traditional IUPAC Name
(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILES
[H][C@@](CN)(C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1
Độ hòa tan
3.14e-03 g/l
logP
3.44
logS
-5
pKa (strongest acidic)
14.63
pKa (Strongest Basic)
9.68
PSA
54.7 Å2
Refractivity
87.48 m3·mol-1
Polarizability
32.22 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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