(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H20Cl2N2O2
PTK: 355.259
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
355.259
Monoisotopic mass
354.090183308
InChI
InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1
InChI Key
InChIKey=YUFADRZDHJKVOT-NSHDSACASA-N
IUPAC Name
(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Traditional IUPAC Name
(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILES
[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC(Cl)=CC(Cl)=C1
Độ hòa tan
1.78e-02 g/l
logP
3.46
logS
-4.3
pKa (strongest acidic)
13.36
pKa (Strongest Basic)
-0.59
PSA
49.41 Å2
Refractivity
92.14 m3·mol-1
Polarizability
36.84 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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