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83409-11-4 | 1-(4-METHYL-1-OXO-2-(4-OXO-2-(3,4,5-TRIMETHOXYPHENYL)-3(4H)-QUINAZOLIN YL)PENTYL)PYRROLIDINE
CAS No: 83409-11-4 Catalog No: AG004VK2 MDL No:
Product Description
Catalog Number:
AG004VK2
Chemical Name:
1-(4-METHYL-1-OXO-2-(4-OXO-2-(3,4,5-TRIMETHOXYPHENYL)-3(4H)-QUINAZOLIN YL)PENTYL)PYRROLIDINE
CAS Number:
83409-11-4
Molecular Formula:
C27H33N3O5
Molecular Weight:
479.5680
IUPAC Name:
3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
InChI:
InChI=1S/C27H33N3O5/c1-17(2)14-21(27(32)29-12-8-9-13-29)30-25(28-20-11-7-6-10-19(20)26(30)31)18-15-22(33-3)24(35-5)23(16-18)34-4/h6-7,10-11,15-17,21H,8-9,12-14H2,1-5H3
InChI Key:
KLPWWRUJIMLFBC-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nc2ccccc2c(=O)n1C(C(=O)N1CCCC1)CC(C)C
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.242g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.577g/mol
Monoisotopic Mass:
479.242g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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