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133399-70-9 | 3-[2-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]ETHYL]-1,5-DIMETHYLPYRIMIDO[5,4-B]INDOLE-2,4-DIONE
CAS No: 133399-70-9 Catalog No: AG0072SP MDL No:
Product Description
Catalog Number:
AG0072SP
Chemical Name:
3-[2-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]ETHYL]-1,5-DIMETHYLPYRIMIDO[5,4-B]INDOLE-2,4-DIONE
CAS Number:
133399-70-9
Molecular Formula:
C25H29N5O3
Molecular Weight:
447.5295
IUPAC Name:
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dimethylpyrimido[5,4-b]indole-2,4-dione
InChI:
InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
InChI Key:
PORQJIBOYVIPCB-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCn1c(=O)n(C)c2c(c1=O)n(C)c1c2cccc1
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.227g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.539g/mol
Monoisotopic Mass:
447.227g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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