4-{[(5Z)-1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

4-{[(5Z)-1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

Formula: C25H17ClN2O5

SMILES: ClC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C2C(=O)NC(=O)N(CC3=CC=CC=C3)C2=O)C=C1

IUPAC: 4-{[(5Z)-1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

InChI: InChI=1S/C25H17ClN2O5/c26-19-10-8-18(9-11-19)24(31)33-20-12-6-16(7-13-20)14-21-22(29)27-25(32)28(23(21)30)15-17-4-2-1-3-5-17/h1-14H,15H2,(H,27,29,32)/b21-14-

Composition: C (65.15%), H (3.72%), Cl (7.69%), N (6.08%), O (17.36%)

Molar Mass: 460.87

Atom Count: 50

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	460.0825994
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OMOQLAOEYSOUKN-STZFKDTASA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.24
Topological Polar Surface Area	92.78
Polarizability	46.54
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H17ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00