N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
Thuốc Gốc
Small Molecule
CTHH: C22H24N2O2
PTK: 348.4382
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
348.4382
Monoisotopic mass
348.183778022
InChI
InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChI Key
InChIKey=BOPSUAHGQHFKGG-UHFFFAOYSA-N
IUPAC Name
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide
Traditional IUPAC Name
N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
SMILES
CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1
Độ hòa tan
6.15e-04 g/l
logP
3.53
logS
-5.8
pKa (strongest acidic)
14.78
pKa (Strongest Basic)
-0.084
PSA
58.2 Å2
Refractivity
103.34 m3·mol-1
Polarizability
40.4 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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