(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H18F2N2O
PTK: 328.3558
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
328.3558
Monoisotopic mass
328.138719618
InChI
InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1
InChI Key
InChIKey=WFFMEXQHWXEKBV-SFHVURJKSA-N
IUPAC Name
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
Traditional IUPAC Name
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILES
[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1
Độ hòa tan
5.13e-02 g/l
logP
3.47
logS
-3.8
pKa (Strongest Basic)
-1.8
PSA
23.55 Å2
Refractivity
90.17 m3·mol-1
Polarizability
33.5 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
0
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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