4-methyl-3-({[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzoic acid

4-methyl-3-({[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzoic acid

Formula: C20H17N3O5

SMILES: CC1=CC=C(C=C1)N1C(=O)NC(=O)C(=CNC2=CC(=CC=C2C)C(O)=O)C1=O

IUPAC: 4-methyl-3-({[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzoic acid

InChI: InChI=1S/C20H17N3O5/c1-11-3-7-14(8-4-11)23-18(25)15(17(24)22-20(23)28)10-21-16-9-13(19(26)27)6-5-12(16)2/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b15-10-

Composition: C (63.32%), H (4.52%), N (11.08%), O (21.09%)

Molar Mass: 379.372

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	379.116820659
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	OAEGGGAPIWTUNY-GDNBJRDFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.33
Topological Polar Surface Area	115.81
Polarizability	37.69
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00