(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Thuốc Gốc
Small Molecule
CTHH: C18H15N5
PTK: 301.3452
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
301.3452
Monoisotopic mass
301.132745505
InChI
InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1
InChI Key
InChIKey=CWHMAWBXRCDOEB-HNNXBMFYSA-N
IUPAC Name
(S)-phenyl[4-(9H-purin-6-yl)phenyl]methanamine
Traditional IUPAC Name
(S)-phenyl[4-(9H-purin-6-yl)phenyl]methanamine
SMILES
[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1
Độ hòa tan
3.88e-02 g/l
logP
2.43
logS
-3.9
pKa (strongest acidic)
10.25
pKa (Strongest Basic)
8.94
PSA
80.48 Å2
Refractivity
89.11 m3·mol-1
Polarizability
32.64 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
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