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24464-64-0 | Propanamide, 3-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-N-phenyl-
CAS No: 24464-64-0 Catalog No: AG002O7W MDL No:
Product Description
Catalog Number:
AG002O7W
Chemical Name:
Propanamide, 3-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-N-phenyl-
CAS Number:
24464-64-0
Molecular Formula:
C29H29N3O3
Molecular Weight:
467.5589
IUPAC Name:
3-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]-N-phenylpropanamide
InChI:
InChI=1S/C29H29N3O3/c33-25(32-20-11-5-2-6-12-20)17-18-30-23-15-16-24(31-19-9-3-1-4-10-19)27-26(23)28(34)21-13-7-8-14-22(21)29(27)35/h2,5-8,11-16,19,30-31H,1,3-4,9-10,17-18H2,(H,32,33)
InChI Key:
BSGWMUMCNMCWCW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC1CCCCC1
EC Number:
246-275-2
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.221g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
467.569g/mol
Monoisotopic Mass:
467.221g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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