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Home > Nitro Compounds > 74162-45-1
74162-45-1 | 10H-Thieno[2,3-b][1,5]benzodiazepine,2-ethyl-4-(4-methyl-1-piperazinyl)-7-nitro-
CAS No: 74162-45-1 Catalog No: AG005NY9 MDL No:
Product Description
Catalog Number:
AG005NY9
Chemical Name:
10H-Thieno[2,3-b][1,5]benzodiazepine,2-ethyl-4-(4-methyl-1-piperazinyl)-7-nitro-
CAS Number:
74162-45-1
Molecular Formula:
C18H21N5O2S
Molecular Weight:
371.4566
IUPAC Name:
2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-10H-thieno[2,3-b][1,5]benzodiazepine
InChI:
InChI=1S/C18H21N5O2S/c1-3-13-11-14-17(22-8-6-21(2)7-9-22)19-16-10-12(23(24)25)4-5-15(16)20-18(14)26-13/h4-5,10-11,20H,3,6-9H2,1-2H3
InChI Key:
LMGHYRVAUPSSEP-UHFFFAOYSA-N
SMILES:
CCc1cc2c(s1)Nc1c(N=C2N2CCN(CC2)C)cc(cc1)[N+](=O)[O-]
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.459g/mol
Monoisotopic Mass:
371.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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