Tìm theo
(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
Thuốc Gốc
Small Molecule
CTHH: C8H10N2OS
PTK: 182.243
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
182.243
Monoisotopic mass
182.051383642
InChI
InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1
InChI Key
InChIKey=TUOXPJFCQDMQOX-YFKPBYRVSA-N
IUPAC Name
(2S)-2-methyl-2H,3H-thieno[2,3-f][1,4]oxazepin-5-amine
Traditional IUPAC Name
(2S)-2-methyl-2H,3H-thieno[2,3-f][1,4]oxazepin-5-amine
SMILES
[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2
Độ hòa tan
4.65e-01 g/l
logP
1.12
logS
-2.6
pKa (Strongest Basic)
6.71
PSA
47.61 Å2
Refractivity
48.02 m3·mol-1
Polarizability
18.69 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
... loading
... loading