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69310-78-7

69310-78-7 | ETHYL 1-CYCLOHEXYL-3-METHYL-2,4-DIOXO-7-PHENYL-1,3,4,5,6,7-HEXAHYDRO-2H-PYRANO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

CAS No: 69310-78-7 Catalog No: AG006GF3 MDL No:

Product Description

Catalog Number:
AG006GF3
Chemical Name:
ETHYL 1-CYCLOHEXYL-3-METHYL-2,4-DIOXO-7-PHENYL-1,3,4,5,6,7-HEXAHYDRO-2H-PYRANO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
CAS Number:
69310-78-7
Molecular Formula:
C23H28N2O5
Molecular Weight:
412.4788
IUPAC Name:
ethyl 1-cyclohexyl-3-methyl-2,4-dioxo-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C23H28N2O5/c1-3-29-22(27)17-14-18-20(26)24(2)23(28)25(16-12-8-5-9-13-16)21(18)30-19(17)15-10-6-4-7-11-15/h4,6-7,10-11,16-17,19H,3,5,8-9,12-14H2,1-2H3
InChI Key:
ZQEYUJNHTLLUJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Cc2c(OC1c1ccccc1)n(C1CCCCC1)c(=O)n(c2=O)C
NSC Number:
332191

Properties

Complexity:
721  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.2g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.486g/mol
Monoisotopic Mass:
412.2g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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