1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE
Thuốc Gốc
Small Molecule
CTHH: C23H28N2
PTK: 332.4818
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
332.4818
Monoisotopic mass
332.225248906
InChI
InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3
InChI Key
InChIKey=MMIJMYOYKAKQPN-UHFFFAOYSA-N
IUPAC Name
(cyclohexylmethyl)({[1-(4-methylphenyl)-1H-indol-3-yl]methyl})amine
Traditional IUPAC Name
(cyclohexylmethyl)({[1-(4-methylphenyl)indol-3-yl]methyl})amine
SMILES
CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12
Độ hòa tan
1.16e-03 g/l
logP
5.55
logS
-5.5
pKa (Strongest Basic)
10.25
PSA
16.96 Å2
Refractivity
116.17 m3·mol-1
Polarizability
40.36 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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