1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE
Thuốc Gốc
Small Molecule
CTHH: C20H20N2O5S
PTK: 400.448
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
400.448
Monoisotopic mass
400.10929245
InChI
InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
InChI Key
InChIKey=PFAYCUAUBOGVDX-AWEZNQCLSA-N
IUPAC Name
1-methyl-5-[(2S)-2-(phenoxymethyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-1H-indole-2,3-dione
Traditional IUPAC Name
1-methyl-5-[(2S)-2-(phenoxymethyl)pyrrolidine-1-sulfonyl]indole-2,3-dione
SMILES
[H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O
Độ hòa tan
5.35e-02 g/l
logP
1.98
logS
-3.9
pKa (Strongest Basic)
-4.7
PSA
83.99 Å2
Refractivity
103.31 m3·mol-1
Polarizability
39.4 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
0
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
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