N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C20H22N2O3S
PTK: 370.465
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
370.465
Monoisotopic mass
370.13511327
InChI
InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1
InChI Key
InChIKey=QSSWSEQPKCCATQ-VQTJNVASSA-N
IUPAC Name
(2R,3S)-3-amino-2-hydroxy-S-(naphthalen-2-yl)-4-phenylbutane-1-sulfonamido
Traditional IUPAC Name
(2R,3S)-3-amino-2-hydroxy-S-(naphthalen-2-yl)-4-phenylbutane-1-sulfonamido
SMILES
[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1
Độ hòa tan
1.15e-02 g/l
logP
2.17
logS
-4.5
pKa (strongest acidic)
10.11
pKa (Strongest Basic)
8.98
PSA
92.42 Å2
Refractivity
102.51 m3·mol-1
Polarizability
39.57 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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