N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C18H25ClN2O2
PTK: 336.856
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H25ClN2O2
Phân tử khối
336.856
Monoisotopic mass
336.160455761
InChI
InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChI Key
InChIKey=PQUULPKGCNPPBX-INIZCTEOSA-N
IUPAC Name
(2S)-N-[(3-chlorophenyl)methyl]-1-(4-methylpentanoyl)pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-N-[(3-chlorophenyl)methyl]-1-(4-methylpentanoyl)pyrrolidine-2-carboxamide
SMILES
[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC(Cl)=CC=C1
Độ hòa tan
2.08e-02 g/l
logP
3.13
logS
-4.2
pKa (strongest acidic)
14.72
pKa (Strongest Basic)
-0.086
PSA
49.41 Å2
Refractivity
92.14 m3·mol-1
Polarizability
36.47 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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