N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C16H16N2OS
PTK: 284.376
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
284.376
Monoisotopic mass
284.098333834
InChI
InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChI Key
InChIKey=ACAKNPKRLPMONU-UHFFFAOYSA-N
IUPAC Name
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
Traditional IUPAC Name
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILES
CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1
Độ hòa tan
4.83e-03 g/l
logP
3.27
logS
-4.8
pKa (strongest acidic)
14.15
pKa (Strongest Basic)
-2.4
PSA
44.89 Å2
Refractivity
82.53 m3·mol-1
Polarizability
31.49 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
1
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
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