Tìm theo
1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea
Thuốc Gốc
Small Molecule
CTHH: C20H18N4O2
PTK: 346.3825
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
346.3825
Monoisotopic mass
346.14297584
InChI
InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)
InChI Key
InChIKey=ZHCAYBOLUMAUQX-UHFFFAOYSA-N
IUPAC Name
3-(4-carbamimidoylphenyl)-1-(4-phenoxyphenyl)urea
Traditional IUPAC Name
3-(4-carbamimidoylphenyl)-1-(4-phenoxyphenyl)urea
SMILES
NC(=N)C1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1
Độ hòa tan
2.10e-02 g/l
logP
2.93
logS
-4.2
pKa (strongest acidic)
11.81
pKa (Strongest Basic)
11.19
PSA
100.23 Å2
Refractivity
113.97 m3·mol-1
Polarizability
36.12 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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