Tìm theo
N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H27N3O3S2
PTK: 409.566
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
409.566
Monoisotopic mass
409.149383125
InChI
InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)
InChI Key
InChIKey=XPCVYJATJSZGJU-UHFFFAOYSA-N
IUPAC Name
N-{4-[5-(dimethylamino)naphthalene-1-sulfonamido]butyl}-3-sulfanylpropanamide
Traditional IUPAC Name
N-{4-[5-(dimethylamino)naphthalene-1-sulfonamido]butyl}-3-sulfanylpropanamide
SMILES
CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NCCCCNC(=O)CCS
Độ hòa tan
7.55e-03 g/l
logP
2.17
logS
-4.7
pKa (strongest acidic)
9.7
pKa (Strongest Basic)
4.63
PSA
78.51 Å2
Refractivity
113.33 m3·mol-1
Polarizability
45.48 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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