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66969-81-1 | Tiodazosin
CAS No: 66969-81-1 Catalog No: AG00FY2L MDL No:
Product Description
Catalog Number:
AG00FY2L
Chemical Name:
Tiodazosin
CAS Number:
66969-81-1
Molecular Formula:
C18H21N7O4S
Molecular Weight:
431.4688
IUPAC Name:
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
InChI:
InChI=1S/C18H21N7O4S/c1-27-12-8-10-11(9-13(12)28-2)20-17(21-14(10)19)25-6-4-24(5-7-25)16(26)15-22-23-18(29-15)30-3/h8-9H,4-7H2,1-3H3,(H2,19,20,21)
InChI Key:
MULPYFRDYRZMDS-UHFFFAOYSA-N
SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1nnc(o1)SC
UNII:
FQI0PYJ799
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.471g/mol
Monoisotopic Mass:
431.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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