(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CAR
Thuốc Gốc
Small Molecule
CTHH: C19H24N2O2S2
PTK: 376.536
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
376.536
Monoisotopic mass
376.127919402
InChI
InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChI Key
InChIKey=UQKSYQYWUHUIEH-GFCCVEGCSA-N
IUPAC Name
(5R)-3-N,3-N-diethyl-5-methyl-2-C-thiophene-2-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
Traditional IUPAC Name
(5R)-3-N,3-N-diethyl-5-methyl-2-C-thiophene-2-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
SMILES
[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2
Độ hòa tan
2.68e-02 g/l
logP
5.46
logS
-4.2
pKa (strongest acidic)
7.9
pKa (Strongest Basic)
-0.44
PSA
49.41 Å2
Refractivity
105.08 m3·mol-1
Polarizability
41.47 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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