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80712-33-0 | N-(DIMETHYLCARBAMOYL)-4-(4-HYDROXYPHENYL)-N-METHYL-PIPERAZINE-1-CARBOXAMIDE
CAS No: 80712-33-0 Catalog No: AG0051Q7 MDL No:
Product Description
Catalog Number:
AG0051Q7
Chemical Name:
N-(DIMETHYLCARBAMOYL)-4-(4-HYDROXYPHENYL)-N-METHYL-PIPERAZINE-1-CARBOXAMIDE
CAS Number:
80712-33-0
Molecular Formula:
C15H22N4O3
Molecular Weight:
306.3602
IUPAC Name:
N-(dimethylcarbamoyl)-4-(4-hydroxyphenyl)-N-methylpiperazine-1-carboxamide
InChI:
InChI=1S/C15H22N4O3/c1-16(2)14(21)17(3)15(22)19-10-8-18(9-11-19)12-4-6-13(20)7-5-12/h4-7,20H,8-11H2,1-3H3
InChI Key:
LRZJGQOJSXATEJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N1CCN(CC1)C(=O)N(C(=O)N(C)C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.366g/mol
Monoisotopic Mass:
306.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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