N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H22N2O2S2
PTK: 362.509
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
362.509
Monoisotopic mass
362.112269338
InChI
InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
InChI Key
InChIKey=NZTHBWHANVWSRX-UHFFFAOYSA-N
IUPAC Name
3-N,3-N-diethyl-2-C-thiophene-2-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
Traditional IUPAC Name
3-N,3-N-diethyl-2-C-thiophene-2-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
SMILES
CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2
Độ hòa tan
4.96e-02 g/l
logP
5.17
logS
-3.9
pKa (strongest acidic)
7.9
pKa (Strongest Basic)
-0.44
PSA
49.41 Å2
Refractivity
100.54 m3·mol-1
Polarizability
39.35 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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