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78533-62-7 | ETHYL (1,4,5,6-TETRAHYDRO-5-PHENYL-PYRIMIDIN-2-YL)CARBAMATE
CAS No: 78533-62-7 Catalog No: AG005A0W MDL No:
Product Description
Catalog Number:
AG005A0W
Chemical Name:
ETHYL (1,4,5,6-TETRAHYDRO-5-PHENYL-PYRIMIDIN-2-YL)CARBAMATE
CAS Number:
78533-62-7
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
IUPAC Name:
ethyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
InChI:
InChI=1S/C13H17N3O2/c1-2-18-13(17)16-12-14-8-11(9-15-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,14,15,16,17)
InChI Key:
VGJBVNUSYWXMHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC1=NCC(CN1)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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