Tìm theo
N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}P
Thuốc Gốc
Small Molecule
CTHH: C21H29N3O3S
PTK: 403.538
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
403.538
Monoisotopic mass
403.192962499
InChI
InChI=1S/C21H29N3O3S/c1-15(2)28(26,27)22-11-7-13-24-17-9-4-3-8-16(17)20-19(25)14-23-12-6-5-10-18(23)21(20)24/h3-4,8-9,15,18,22H,5-7,10-14H2,1-2H3/t18-/m0/s1
InChI Key
InChIKey=LICJTIDRHJECTD-SFHVURJKSA-N
IUPAC Name
N-{3-[(2S)-9-oxo-7,17-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-17-yl]propyl}propane-2-sulfonamide
Traditional IUPAC Name
N-{3-[(2S)-9-oxo-7,17-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-17-yl]propyl}propane-2-sulfonamide
SMILES
[H][C@@]12CCCC[N@]1CC(=O)C1=C2N(CCCNS(=O)(=O)C(C)C)C2=C1C=CC=C2
Độ hòa tan
2.88e-01 g/l
logP
1.98
logS
-3.1
pKa (strongest acidic)
11.91
pKa (Strongest Basic)
3.76
PSA
71.41 Å2
Refractivity
111.39 m3·mol-1
Polarizability
44.87 Å3
Rotatable Bond Count
5
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
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