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127374-99-6 | Carbamic acid, [4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl]-, phenyl ester (9CI)
CAS No: 127374-99-6 Catalog No: AG000X0S MDL No:
Product Description
Catalog Number:
AG000X0S
Chemical Name:
Carbamic acid, [4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl]-, phenyl ester (9CI)
CAS Number:
127374-99-6
Molecular Formula:
C17H21N5O3
Molecular Weight:
343.3803
IUPAC Name:
phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate
InChI:
InChI=1S/C17H21N5O3/c1-2-6-14-18-15(20-16(19-14)22-9-11-24-12-10-22)21-17(23)25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23)
InChI Key:
ILRLHUZRLDCWCU-UHFFFAOYSA-N
SMILES:
CCCc1nc(NC(=O)Oc2ccccc2)nc(n1)N1CCOCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.387g/mol
Monoisotopic Mass:
343.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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