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126684-63-7 | 4H-[1]Benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 5,6,7,8,9,10-hexahydro-4-(4-nitrophenyl)-
CAS No: 126684-63-7 Catalog No: AG000T3W MDL No:
Product Description
Catalog Number:
AG000T3W
Chemical Name:
4H-[1]Benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 5,6,7,8,9,10-hexahydro-4-(4-nitrophenyl)-
CAS Number:
126684-63-7
Molecular Formula:
C20H19N3O2S
Molecular Weight:
365.4488
IUPAC Name:
7-(4-nitrophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
InChI:
InChI=1S/C20H19N3O2S/c24-23(25)14-9-7-13(8-10-14)19-17-5-3-11-22(17)20-16(12-21-19)15-4-1-2-6-18(15)26-20/h3,5,7-11,19,21H,1-2,4,6,12H2
InChI Key:
SJQRDUNMIHRAGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1NCc2c(n3c1ccc3)sc1c2CCCC1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.451g/mol
Monoisotopic Mass:
365.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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