2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C16H13ClN2O2S
PTK: 332.805
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
332.805
Monoisotopic mass
332.038626067
InChI
InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1
InChI Key
InChIKey=LRHOLHTVXXSIMG-BXUZGUMPSA-N
IUPAC Name
2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
Traditional IUPAC Name
2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILES
[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2
Độ hòa tan
6.46e-03 g/l
logP
3.17
logS
-4.7
pKa (strongest acidic)
9.3
pKa (Strongest Basic)
-1.5
PSA
65.12 Å2
Refractivity
84.55 m3·mol-1
Polarizability
33.88 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
3
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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