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Home > Indoles and Oxindole > 239093-24-4
239093-24-4 | 4H-Pyrimido[5,4-b]indol-4-one,2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-
CAS No: 239093-24-4 Catalog No: AG006XTI MDL No:
Product Description
Catalog Number:
AG006XTI
Chemical Name:
4H-Pyrimido[5,4-b]indol-4-one,2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-
CAS Number:
239093-24-4
Molecular Formula:
C23H23N5O3
Molecular Weight:
417.4604
IUPAC Name:
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydropyrimido[5,4-b]indol-4-one
InChI:
InChI=1S/C23H23N5O3/c29-23-22-21(16-3-1-2-4-17(16)24-22)25-20(26-23)13-28-9-7-27(8-10-28)12-15-5-6-18-19(11-15)31-14-30-18/h1-6,11,24H,7-10,12-14H2,(H,25,26,29)
InChI Key:
NSFZGOKZOGHPKI-UHFFFAOYSA-N
SMILES:
O=c1nc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)[nH]c2c1[nH]c1c2cccc1
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.18g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.469g/mol
Monoisotopic Mass:
417.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activities of new pyrimido[5,4-b]indoles. | Farmaco (Societa chimica italiana : 1989) 19990430 |
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