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131275-84-8 | 5-Pyrimidinecarboxylic acid, 1-(aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-, 1-methylethyl ester
CAS No: 131275-84-8 Catalog No: AG000VUE MDL No:
Product Description
Catalog Number:
AG000VUE
Chemical Name:
5-Pyrimidinecarboxylic acid, 1-(aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-, 1-methylethyl ester
CAS Number:
131275-84-8
Molecular Formula:
C16H18ClN3O4
Molecular Weight:
351.7848
IUPAC Name:
propan-2-yl 3-carbamoyl-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
InChI:
InChI=1S/C16H18ClN3O4/c1-8(2)24-14(21)12-9(3)19-16(23)20(15(18)22)13(12)10-5-4-6-11(17)7-10/h4-8,13H,1-3H3,(H2,18,22)(H,19,23)
InChI Key:
NEORKLPGSMVSDS-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1=C(C)NC(=O)N(C1c1cccc(c1)Cl)C(=O)N)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.787g/mol
Monoisotopic Mass:
351.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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