(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H19N5O2
PTK: 337.3758
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
337.3758
Monoisotopic mass
337.153874877
InChI
InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)/b20-16-/t11-/m0/s1
InChI Key
InChIKey=JPAWNIKVRIVDBT-PORMKJMCSA-N
IUPAC Name
(2S)-N-[(3Z)-5-cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
Traditional IUPAC Name
(2S)-N-[(3Z)-5-cyclopropylpyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILES
O=C(\N=C1/N=NC(=C1)C1CC1)[C@](C)([H])C1=CC=C(C=C1)N1CCNC1=O
Độ hòa tan
1.11e-01 g/l
logP
0.97
logS
-3.5
pKa (strongest acidic)
15.08
pKa (Strongest Basic)
-3.2
PSA
86.49 Å2
Refractivity
93.14 m3·mol-1
Polarizability
36.09 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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