N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluo
Thuốc Gốc
Small Molecule
CTHH: C19H21ClF3N5O2
PTK: 443.851
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
443.851
Monoisotopic mass
443.133587263
InChI
InChI=1S/C19H21ClF3N5O2/c20-14-6-7-15(27-11-19(22,23)12-4-2-1-3-5-12)17(21)13(14)10-16(29)26-8-9-30-28-18(24)25/h1-7,27H,8-11H2,(H,26,29)(H4,24,25,28)
InChI Key
InChIKey=DZEJHPMTDNDECN-UHFFFAOYSA-N
IUPAC Name
N-[2-(carbamimidamidooxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
Traditional IUPAC Name
N-[2-(carbamimidamidooxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
SMILES
NC(=N)NOCCNC(=O)CC1=C(Cl)C=CC(NCC(F)(F)C2=CC=CC=C2)=C1F
Độ hòa tan
1.58e-02 g/l
logP
2.7
logS
-4.5
pKa (strongest acidic)
12.46
pKa (Strongest Basic)
9.81
PSA
112.26 Å2
Refractivity
129.21 m3·mol-1
Polarizability
41.33 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading