3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE
Thuốc Gốc
Small Molecule
CTHH: C19H18N2O3
PTK: 322.3578
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
322.3578
Monoisotopic mass
322.131742452
InChI
InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21?/m1/s1
InChI Key
InChIKey=RQFCSAVLOHDQNB-ZIFPNCEFSA-N
IUPAC Name
3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenyl-4,7-dihydro-1H-indole-4,7-dione
Traditional IUPAC Name
3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenylindole-4,7-dione
SMILES
[H][C@@]1(C)CN1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O
Độ hòa tan
7.44e-01 g/l
logP
1.42
logS
-2.6
pKa (strongest acidic)
13.44
pKa (Strongest Basic)
-1.3
PSA
62.31 Å2
Refractivity
93.69 m3·mol-1
Polarizability
34.9 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
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