6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
Thuốc Gốc
Small Molecule
CTHH: C24H24N4O
PTK: 384.4736
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
384.4736
Monoisotopic mass
384.19501141
InChI
InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)
InChI Key
InChIKey=XRHANBWAKSYPEN-UHFFFAOYSA-N
IUPAC Name
6-carbamimidoyl-N-[1-(propan-2-yl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide
Traditional IUPAC Name
6-carbamimidoyl-N-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)naphthalene-2-carboxamide
SMILES
CC(C)C1=NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2
Độ hòa tan
4.23e-03 g/l
logP
3.54
logS
-5
pKa (strongest acidic)
11.76
pKa (Strongest Basic)
11.11
PSA
91.33 Å2
Refractivity
129.58 m3·mol-1
Polarizability
44.47 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
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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