Tìm theo
Al7089a
Thuốc Gốc
Small Molecule
CAS: 220402-83-5
CTHH: C14H17N3O5S3
PTK: 403.497
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
403.497
Monoisotopic mass
403.033032739
InChI
InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1
InChI Key
InChIKey=RMOXCYSVWCHXII-LBPRGKRZSA-N
IUPAC Name
(4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide
Traditional IUPAC Name
(4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide
SMILES
[H][C@@]1(CN(C2=CC=CC(OC)=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O)NC
Độ hòa tan
2.63e-01 g/l
logP
0.48
logS
-3.2
pKa (strongest acidic)
8.18
pKa (Strongest Basic)
6.72
PSA
118.8 Å2
Refractivity
92.78 m3·mol-1
Polarizability
39.65 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
... loading
... loading