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131528-79-5 | Benzamide, 4-[[(2-hydroxyphenyl)methylene]amino]-N-[tetrahydro-3-(2-methoxyphenyl)-4,6-dioxo-5-[(phenylamino)methyl]-2-thioxo-1(2H)-pyrimidinyl]-
CAS No: 131528-79-5 Catalog No: AG000ZBN MDL No:
Product Description
Catalog Number:
AG000ZBN
Chemical Name:
Benzamide, 4-[[(2-hydroxyphenyl)methylene]amino]-N-[tetrahydro-3-(2-methoxyphenyl)-4,6-dioxo-5-[(phenylamino)methyl]-2-thioxo-1(2H)-pyrimidinyl]-
CAS Number:
131528-79-5
Molecular Formula:
C32H27N5O5S
Molecular Weight:
593.6523
IUPAC Name:
N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide
InChI:
InChI=1S/C32H27N5O5S/c1-42-28-14-8-6-12-26(28)36-30(40)25(20-34-23-10-3-2-4-11-23)31(41)37(32(36)43)35-29(39)21-15-17-24(18-16-21)33-19-22-9-5-7-13-27(22)38/h2-19,25,34,38H,20H2,1H3,(H,35,39)
InChI Key:
UQEOJLWSLWVAET-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1C(=S)N(NC(=O)c2ccc(cc2)N=Cc2ccccc2O)C(=O)C(C1=O)CNc1ccccc1
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.173g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
593.658g/mol
Monoisotopic Mass:
593.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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