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125173-78-6 | Benzamide, N-[4-(9-acridinylamino)butyl]-4-[bis(2-chloroethyl)amino]-
CAS No: 125173-78-6 Catalog No: AG000NAX MDL No:
Product Description
Catalog Number:
AG000NAX
Chemical Name:
Benzamide, N-[4-(9-acridinylamino)butyl]-4-[bis(2-chloroethyl)amino]-
CAS Number:
125173-78-6
Molecular Formula:
C28H30Cl2N4O
Molecular Weight:
509.4700
IUPAC Name:
N-[4-(acridin-9-ylamino)butyl]-4-[bis(2-chloroethyl)amino]benzamide
InChI:
InChI=1S/C28H30Cl2N4O/c29-15-19-34(20-16-30)22-13-11-21(12-14-22)28(35)32-18-6-5-17-31-27-23-7-1-3-9-25(23)33-26-10-4-2-8-24(26)27/h1-4,7-14H,5-6,15-20H2,(H,31,33)(H,32,35)
InChI Key:
AFIZVRBJFXIKHE-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C(=O)NCCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.18g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.475g/mol
Monoisotopic Mass:
508.18g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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