6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENE
Thuốc Gốc
Small Molecule
CTHH: C21H24ClN3O5S
PTK: 465.95
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
465.95
Monoisotopic mass
465.11251929
InChI
InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
InChI Key
InChIKey=ICLOZQFWTRAYPX-LIRRHRJNSA-N
IUPAC Name
6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
Traditional IUPAC Name
6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILES
[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1
Độ hòa tan
9.78e-02 g/l
logP
1.08
logS
-3.7
pKa (strongest acidic)
10.04
pKa (Strongest Basic)
-3.1
PSA
96.02 Å2
Refractivity
115.98 m3·mol-1
Polarizability
46.71 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
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
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