(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER
Thuốc Gốc
Small Molecule
CTHH: C18H15NO3S
PTK: 325.382
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H15NO3S
Phân tử khối
325.382
Monoisotopic mass
325.077264041
InChI
InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1
InChI Key
InChIKey=JYIHODAXBBPFQF-MAUKXSAKSA-N
IUPAC Name
methyl (3R,9bR)-5-oxo-9b-phenyl-2H,3H,5H,9bH-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
Traditional IUPAC Name
methyl (3R,9bR)-5-oxo-9b-phenyl-2H,3H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
SMILES
COC(=O)[C@@H]1CS[C@]2(N1C(=O)C1=CC=CC=C21)C1=CC=CC=C1
Độ hòa tan
1.47e-02 g/l
logP
3.45
logS
-4.3
pKa (Strongest Basic)
-2.2
PSA
46.61 Å2
Refractivity
88.85 m3·mol-1
Polarizability
33.31 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading