Home Carbonyls (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid

(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid

CAS No.:
186046-78-6
Catalog Number:
AG0076B7
Molecular Formula:
C20H17N3O5
Molecular Weight:
379.3661
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Product Description
Catalog Number:
AG0076B7
Chemical Name:
(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid
CAS Number:
186046-78-6
Molecular Formula:
C20H17N3O5
Molecular Weight:
379.3661
MDL Number:
MFCD09261301
IUPAC Name:
2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetic acid
InChI:
InChI=1S/C20H17N3O5/c24-17(25)13-23-12-11-16(21-19(23)26)22-20(27)28-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,24,25)(H,21,22,26,27)
InChI Key:
VPWKJWIKZUONJA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccn(c(=O)n1)CC(=O)O)OC(c1ccccc1)c1ccccc1
Properties
Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.117g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
379.372g/mol
Monoisotopic Mass:
379.117g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties