Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester
Thuốc Gốc
Small Molecule
CTHH: C26H33ClN2O2
PTK: 441.005
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
441.005
Monoisotopic mass
440.223056017
InChI
InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-
InChI Key
InChIKey=AMKFOVYTEUFMCU-HCGLCNNCSA-N
IUPAC Name
4-chlorophenyl N-methyl-N-[(1r,4r)-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl]carbamate
Traditional IUPAC Name
4-chlorophenyl N-methyl-N-[(1r,4r)-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl]carbamate
SMILES
CN([C@H]1CC[C@@H](CC1)C1=CC=C(CN2CCCCC2)C=C1)C(=O)OC1=CC=C(Cl)C=C1
Độ hòa tan
3.47e-04 g/l
logP
6.31
logS
-6.1
pKa (Strongest Basic)
9.34
PSA
32.78 Å2
Refractivity
126.81 m3·mol-1
Polarizability
51.07 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
4
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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