Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-
Thuốc Gốc
Small Molecule
CTHH: C30H32Cl2N4O3
PTK: 567.506
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
567.506
Monoisotopic mass
566.185146324
InChI
InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28-/m1/s1
InChI Key
InChIKey=ZXIPEZDMQNYFOO-VSGBNLITSA-N
IUPAC Name
1-{[(4R,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazine
Traditional IUPAC Name
1-{[(4R,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl}piperazine
SMILES
COC1=CC=C(C2=N[C@@H]([C@H](N2C(=O)N2CCNCC2)C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)C(OC(C)C)=C1
Độ hòa tan
9.43e-04 g/l
logP
5.91
logS
-5.8
pKa (Strongest Basic)
7.82
PSA
66.4 Å2
Refractivity
154.08 m3·mol-1
Polarizability
60.09 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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