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75889-62-2 | Phosphonic acid,P-[[4-(2-benzothiazolyl)phenyl]methyl]-, diethyl ester
CAS No: 75889-62-2 Catalog No: AG0059UH MDL No:
Product Description
Catalog Number:
AG0059UH
Chemical Name:
Phosphonic acid,P-[[4-(2-benzothiazolyl)phenyl]methyl]-, diethyl ester
CAS Number:
75889-62-2
Molecular Formula:
C18H20NO3PS
Molecular Weight:
361.3951
IUPAC Name:
2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C18H20NO3PS/c1-3-21-23(20,22-4-2)13-14-9-11-15(12-10-14)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3
InChI Key:
FVYRUSCZCWSFLT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)c1nc2c(s1)cccc2)OCC
UNII:
D41WS786UL
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.396g/mol
Monoisotopic Mass:
361.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| A comparison of nine calcium ion antagonists and propranolol: exercise tolerance, heart rate and ST-segment changes in patients with chronic stable angina pectoris. | European journal of clinical pharmacology 19870101 |
| Antihypertensive effect of KB-944, a new calcium antagonist, in conscious normotensive and hypertensive rats. | Arzneimittel-Forschung 19820101 |
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