N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,
Thuốc Gốc
Small Molecule
CTHH: C24H33N3O4S
PTK: 459.602
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H33N3O4S
Phân tử khối
459.602
Monoisotopic mass
459.219177249
InChI
InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17-,24-/m1/s1
InChI Key
InChIKey=QWDOKZPZLWNULU-MZNJEOGPSA-N
IUPAC Name
N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1^{7,11}]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]-N-methylmethanesulfonamide
Traditional IUPAC Name
N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1^{7,11}]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]-N-methylmethanesulfonamide
SMILES
[H][C@@]1(C)CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2
Độ hòa tan
1.70e-03 g/l
logP
3.41
logS
-5.4
pKa (Strongest Basic)
7.22
PSA
102.59 Å2
Refractivity
125.16 m3·mol-1
Polarizability
49.71 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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