N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
Thuốc Gốc
Small Molecule
CTHH: C20H27N2O3P
PTK: 374.4137
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
374.4137
Monoisotopic mass
374.175929252
InChI
InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
InChI Key
InChIKey=KGUVBHLPMGERAT-NIYFSFCBSA-N
IUPAC Name
(2R)-2-{benzyl[(R)-methyl(phenyl)phosphoryl]amino}-N-hydroxy-4-methylpentanamide
Traditional IUPAC Name
(2R)-2-{benzyl[(R)-methyl(phenyl)phosphoryl]amino}-N-hydroxy-4-methylpentanamide
SMILES
[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO
Độ hòa tan
7.15e-03 g/l
logP
3.04
logS
-4.7
pKa (strongest acidic)
8.72
pKa (Strongest Basic)
4.55
PSA
69.64 Å2
Refractivity
104.41 m3·mol-1
Polarizability
38.83 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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