Tìm theo
6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
Thuốc Gốc
Small Molecule
CTHH: C23H23N3O2
PTK: 373.4476
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
373.4476
Monoisotopic mass
373.179026995
InChI
InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27)
InChI Key
InChIKey=FWTQOPWAMQXIMI-UHFFFAOYSA-N
IUPAC Name
6-carbamimidoyl-N-[3-(cyclopentyloxy)phenyl]naphthalene-2-carboxamide
Traditional IUPAC Name
6-carbamimidoyl-N-[3-(cyclopentyloxy)phenyl]naphthalene-2-carboxamide
SMILES
NC(=N)C1=CC2=CC=C(C=C2C=C1)C(=O)NC1=CC=CC(OC2CCCC2)=C1
Độ hòa tan
1.68e-03 g/l
logP
3.66
logS
-5.3
pKa (strongest acidic)
11.79
pKa (Strongest Basic)
11.12
PSA
88.2 Å2
Refractivity
122.59 m3·mol-1
Polarizability
42.18 Å3
Rotatable Bond Count
5
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
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