N-(4-(2-((3-Chlorophenylmethyl)Amino)Ethyl)Phenyl)-2-Thiophecarboxamidine
Thuốc Gốc
Small Molecule
CTHH: C20H20ClN3S
PTK: 369.911
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
369.911
Monoisotopic mass
369.106646052
InChI
InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
InChI Key
InChIKey=ZZVGLDBDDYESAB-UHFFFAOYSA-N
IUPAC Name
N-[4-(2-{[(3-chlorophenyl)methyl]amino}ethyl)phenyl]thiophene-2-carboximidamide
Traditional IUPAC Name
N-[4-(2-{[(3-chlorophenyl)methyl]amino}ethyl)phenyl]thiophene-2-carboximidamide
SMILES
ClC1=CC=CC(CNCCC2=CC=C(NC(=N)C3=CC=CS3)C=C2)=C1
Độ hòa tan
1.67e-03 g/l
logP
5.17
logS
-5.3
pKa (Strongest Basic)
9.74
PSA
47.91 Å2
Refractivity
118.37 m3·mol-1
Polarizability
40.33 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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