(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H21BrN2O2
PTK: 365.265
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
365.265
Monoisotopic mass
364.078640573
InChI
InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1
InChI Key
InChIKey=MVPIURCUINFSAB-LBPRGKRZSA-N
IUPAC Name
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Traditional IUPAC Name
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILES
[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC(Br)=C1
Độ hòa tan
5.39e-02 g/l
logP
3.03
logS
-3.8
pKa (strongest acidic)
13.69
pKa (Strongest Basic)
-0.59
PSA
49.41 Å2
Refractivity
90.15 m3·mol-1
Polarizability
35.03 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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