7-[4-(Dimethylamino)Phenyl]-N-Hydroxy-4,6-Dimethyl-7-Oxo-2,4-Heptadienamide
antifungal agents
Thuốc Gốc
Small Molecule
CTHH: C17H22N2O3
PTK: 302.3682
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
302.3682
Monoisotopic mass
302.16304258
InChI
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
InChI Key
InChIKey=RTKIYFITIVXBLE-QEQCGCAPSA-N
IUPAC Name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
Traditional IUPAC Name
trichostatin
SMILES
ONC(=O)\C=C\C(\C)=C\[C@](C)([H])C(=O)C1=CC=C(N(C)C)C=C1
Độ hòa tan
4.25e-02 g/l
logP
2.41
logS
-3.9
pKa (strongest acidic)
9.57
pKa (Strongest Basic)
3.36
PSA
69.64 Å2
Refractivity
90.24 m3·mol-1
Polarizability
33.37 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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