Tìm theo
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
Thuốc Gốc
Small Molecule
CTHH: C19H21N3O3S
PTK: 371.453
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
371.453
Monoisotopic mass
371.130362243
InChI
InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m0/s1
InChI Key
InChIKey=ZFWHOUCRVSOZJE-AWEZNQCLSA-N
IUPAC Name
N-[(2S)-2-(1H-indol-1-ylmethyl)propyl]-4-sulfamoylbenzamide
Traditional IUPAC Name
N-[(2S)-2-(indol-1-ylmethyl)propyl]-4-sulfamoylbenzamide
SMILES
[H][[email protected]](C)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)CN1C=CC2=CC=CC=C12
Độ hòa tan
4.11e-02 g/l
logP
2.32
logS
-4
pKa (strongest acidic)
9.95
pKa (Strongest Basic)
-0.47
PSA
94.19 Å2
Refractivity
101.55 m3·mol-1
Polarizability
39.72 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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