(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H22N2O2
PTK: 286.3688
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
286.3688
Monoisotopic mass
286.168127958
InChI
InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChI Key
InChIKey=BVUSHGJZBZMDML-ZDUSSCGKSA-N
IUPAC Name
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Traditional IUPAC Name
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILES
[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC=C1
Độ hòa tan
3.10e-01 g/l
logP
2.26
logS
-3
pKa (strongest acidic)
13.96
pKa (Strongest Basic)
-0.59
PSA
49.41 Å2
Refractivity
82.53 m3·mol-1
Polarizability
31.43 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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