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138783-23-0 | 2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4-[(triphenylmethyl)amino]-
CAS No: 138783-23-0 Catalog No: AG0019KB MDL No:
Product Description
Catalog Number:
AG0019KB
Chemical Name:
2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4-[(triphenylmethyl)amino]-
CAS Number:
138783-23-0
Molecular Formula:
C25H23N3O2
Molecular Weight:
397.4690
IUPAC Name:
1-(2-hydroxyethyl)-4-(tritylamino)pyrimidin-2-one
InChI:
InChI=1S/C25H23N3O2/c29-19-18-28-17-16-23(26-24(28)30)27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,29H,18-19H2,(H,26,27,30)
InChI Key:
WTCLIRHSFPFRAG-UHFFFAOYSA-N
SMILES:
OCCn1ccc(nc1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
639793
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.478g/mol
Monoisotopic Mass:
397.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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