N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
Thuốc Gốc
Small Molecule
CTHH: C15H22N2O5S2
PTK: 374.476
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
374.476
Monoisotopic mass
374.097013204
InChI
InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChI Key
InChIKey=CYYCSKFJEOSZTF-CYBMUJFWSA-N
IUPAC Name
(3R)-N-hydroxy-4-[(4-methoxybenzene)sulfonyl]-2,2-dimethyl-1,4-thiazepane-3-carboxamide
Traditional IUPAC Name
(3R)-N-hydroxy-4-(4-methoxybenzenesulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide
SMILES
[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
Độ hòa tan
2.24e-01 g/l
logP
0.97
logS
-3.2
pKa (strongest acidic)
8.7
pKa (Strongest Basic)
-4.8
PSA
95.94 Å2
Refractivity
92.96 m3·mol-1
Polarizability
36.74 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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