Tìm theo
Biotinyl P-Nitroaniline
Thuốc Gốc
Small Molecule
CTHH: C16H20N4O4S
PTK: 364.419
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H20N4O4S
Phân tử khối
364.419
Monoisotopic mass
364.120525838
InChI
InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
InChI Key
InChIKey=PORZMUYPQKOFQY-YDHLFZDLSA-N
IUPAC Name
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]-N-(4-nitrophenyl)pentanamide
Traditional IUPAC Name
5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]-N-(4-nitrophenyl)pentanamide
SMILES
[H][C@@]1(CCCCC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)SC[C@]2([H])NC(=O)N[C@]12[H]
Độ hòa tan
2.86e-02 g/l
logP
1.69
logS
-4.1
pKa (strongest acidic)
13.07
pKa (Strongest Basic)
-1.9
PSA
116.05 Å2
Refractivity
95.65 m3·mol-1
Polarizability
37.13 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03549
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=446236
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507546
ChemSpider
http://www.chemspider.com/Chemical-Structure.393645.html
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