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131604-14-3 | Benzamide, N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenyl-3(4H)-quinazolinyl)amino]-
CAS No: 131604-14-3 Catalog No: AG000ZHA MDL No:
Product Description
Catalog Number:
AG000ZHA
Chemical Name:
Benzamide, N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenyl-3(4H)-quinazolinyl)amino]-
CAS Number:
131604-14-3
Molecular Formula:
C25H24N4O4
Molecular Weight:
444.4825
IUPAC Name:
N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenylquinazolin-3-yl)amino]benzamide
InChI:
InChI=1S/C25H24N4O4/c30-16-14-28(15-17-31)24(32)19-10-12-20(13-11-19)27-29-23(18-6-2-1-3-7-18)26-22-9-5-4-8-21(22)25(29)33/h1-13,27,30-31H,14-17H2
InChI Key:
FNAPAZACNLHCHD-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)c1ccc(cc1)Nn1c(nc2c(c1=O)cccc2)c1ccccc1)CCO
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.18g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.491g/mol
Monoisotopic Mass:
444.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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