(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
Thuốc Gốc
Small Molecule
CTHH: C21H27N3O4S
PTK: 417.522
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.522
Monoisotopic mass
417.172227057
InChI
InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1
InChI Key
InChIKey=SOFGQQQVQZQJFS-MRXNPFEDSA-N
IUPAC Name
(2R)-1-[(4-tert-butylbenzene)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
Traditional IUPAC Name
(2R)-1-(4-tert-butylbenzenesulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine
SMILES
[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O
Độ hòa tan
7.84e-03 g/l
logP
4.67
logS
-4.7
pKa (Strongest Basic)
-1.5
PSA
86.44 Å2
Refractivity
114.97 m3·mol-1
Polarizability
44.68 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading