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88281-95-2 | Thiazolo[2,3-c][1,2,4]triazepin-5(4H)-one, 3-methyl-7-phenyl-
CAS No: 88281-95-2 Catalog No: AG004A9C MDL No:
Product Description
Catalog Number:
AG004A9C
Chemical Name:
Thiazolo[2,3-c][1,2,4]triazepin-5(4H)-one, 3-methyl-7-phenyl-
CAS Number:
88281-95-2
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
3-methyl-7-phenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazepin-5-one
InChI:
InChI=1S/C13H11N3OS/c1-9-7-12(17)16-11(8-18-13(16)15-14-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
VIARATXHQLMEDK-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN=c2n1c(cs2)c1ccccc1)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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