SC-74020
Thuốc Gốc
Small Molecule
CTHH: C29H42N4O6S
PTK: 574.732
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
574.732
Monoisotopic mass
574.282505786
InChI
InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
InChI Key
InChIKey=YJNCFXPJICILOK-HHHXNRCGSA-N
IUPAC Name
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl][2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)-4-pentylbenzamide
Traditional IUPAC Name
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl][2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)-4-pentylbenzamide
SMILES
CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO
Độ hòa tan
1.01e-02 g/l
logP
4.33
logS
-4.8
pKa (strongest acidic)
8.71
pKa (Strongest Basic)
5.11
PSA
128.28 Å2
Refractivity
157.24 m3·mol-1
Polarizability
63.92 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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