Tìm theo
Alpha-methylfentanyl
Thuốc Gốc
Small Molecule
CAS: 79704-88-4
CTHH: C23H30N2O
PTK: 350.4971
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
350.4971
Monoisotopic mass
350.235813592
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
InChI Key
InChIKey=NGTVDHYUFBKWID-UHFFFAOYSA-N
IUPAC Name
N-phenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]propanamide
Traditional IUPAC Name
α-methylfentanyl
SMILES
CCC(=O)N(C1CCN(CC1)C(C)CC1=CC=CC=C1)C1=CC=CC=C1
Độ hòa tan
1.40e-02 g/l
logP
4.23
logS
-4.4
pKa (Strongest Basic)
9
PSA
23.55 Å2
Refractivity
107.9 m3·mol-1
Polarizability
41.91 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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