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74162-37-1 | 10H-Thieno[2,3-b][1,5]benzodiazepine,7-fluoro-3-methyl-4-(4-methyl-1-piperazinyl)-
CAS No: 74162-37-1 Catalog No: AG005DVN MDL No:
Product Description
Catalog Number:
AG005DVN
Chemical Name:
10H-Thieno[2,3-b][1,5]benzodiazepine,7-fluoro-3-methyl-4-(4-methyl-1-piperazinyl)-
CAS Number:
74162-37-1
Molecular Formula:
C17H19FN4S
Molecular Weight:
330.4230
IUPAC Name:
7-fluoro-3-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
InChI:
InChI=1S/C17H19FN4S/c1-11-10-23-17-15(11)16(22-7-5-21(2)6-8-22)19-14-9-12(18)3-4-13(14)20-17/h3-4,9-10,20H,5-8H2,1-2H3
InChI Key:
UMXKUTLAIBQGCS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2c1c(C)cs2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.425g/mol
Monoisotopic Mass:
330.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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