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113642-20-9 | 1,2,3-Benzotriazine, 4-[3-[4-(3-chlorophenyl)-1-piperazinyl]propoxy]-
CAS No: 113642-20-9 Catalog No: AG00097B MDL No:
Product Description
Catalog Number:
AG00097B
Chemical Name:
1,2,3-Benzotriazine, 4-[3-[4-(3-chlorophenyl)-1-piperazinyl]propoxy]-
CAS Number:
113642-20-9
Molecular Formula:
C20H22ClN5O
Molecular Weight:
383.8746
IUPAC Name:
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2,3-benzotriazine
InChI:
InChI=1S/C20H22ClN5O/c21-16-5-3-6-17(15-16)26-12-10-25(11-13-26)9-4-14-27-20-18-7-1-2-8-19(18)22-24-23-20/h1-3,5-8,15H,4,9-14H2
InChI Key:
NGJHADXIDLJIQZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCN(CC1)CCCOc1nnnc2c1cccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.88g/mol
Monoisotopic Mass:
383.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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