5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H16ClN3O3S
PTK: 401.867
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
401.867
Monoisotopic mass
401.06008979
InChI
InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChI Key
InChIKey=UCKHUNHXYMAFQM-UHFFFAOYSA-N
IUPAC Name
5-chloro-N-(2-{[4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]formamido}ethyl)thiophene-2-carboxamide
Traditional IUPAC Name
5-chloro-N-(2-{[4-(2-oxopyridin-1-yl)phenyl]formamido}ethyl)thiophene-2-carboxamide
SMILES
ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O
Độ hòa tan
1.77e-03 g/l
logP
2.53
logS
-5.4
pKa (strongest acidic)
13.59
pKa (Strongest Basic)
-0.77
PSA
78.51 Å2
Refractivity
105.61 m3·mol-1
Polarizability
41.57 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
2
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
PubChem Compound
PubChem Substance
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