Tìm theo
5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C17H15ClN2O3
PTK: 330.766
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H15ClN2O3
Phân tử khối
330.766
Monoisotopic mass
330.077120063
InChI
InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1
InChI Key
InChIKey=SHCHFGSUYJUEBR-INIZCTEOSA-N
IUPAC Name
5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
Traditional IUPAC Name
5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
SMILES
[H][C@](O)(CO)C1=CC=C(NC(=O)C2=CC3=CC(Cl)=CC=C3N2)C=C1
Độ hòa tan
3.47e-02 g/l
logP
2.29
logS
-4
pKa (strongest acidic)
11.71
pKa (Strongest Basic)
-3
PSA
85.35 Å2
Refractivity
90.14 m3·mol-1
Polarizability
34.98 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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