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126092-91-9 | 1H-Pyrrole-2-carboxamide, N-[2-[[4-(9-acridinylamino)phenyl]amino]-2-oxoethyl]-4-amino-1-methyl-
CAS No: 126092-91-9 Catalog No: AG000RM2 MDL No:
Product Description
Catalog Number:
AG000RM2
Chemical Name:
1H-Pyrrole-2-carboxamide, N-[2-[[4-(9-acridinylamino)phenyl]amino]-2-oxoethyl]-4-amino-1-methyl-
CAS Number:
126092-91-9
Molecular Formula:
C27H24N6O2
Molecular Weight:
464.5185
IUPAC Name:
N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-4-amino-1-methylpyrrole-2-carboxamide
InChI:
InChI=1S/C27H24N6O2/c1-33-16-17(28)14-24(33)27(35)29-15-25(34)30-18-10-12-19(13-11-18)31-26-20-6-2-4-8-22(20)32-23-9-5-3-7-21(23)26/h2-14,16H,15,28H2,1H3,(H,29,35)(H,30,34)(H,31,32)
InChI Key:
BLQAAZTWYGEKKE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2)CNC(=O)c1cc(cn1C)N
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.196g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
464.529g/mol
Monoisotopic Mass:
464.196g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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