11-benzyl-5-[(1Z)-2-(3-nitrophenyl)ethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-benzyl-5-[(1Z)-2-(3-nitrophenyl)ethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C24H22N4O3S

SMILES: [O-][N+](=O)C1=CC(C=C/C2NC3=C(C4=C(CN(CC5=CC=CC=C5)CC4)S3)C(=O)N2)=CC=C1

IUPAC: 11-benzyl-5-[(1Z)-2-(3-nitrophenyl)ethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C24H22N4O3S/c29-23-22-19-11-12-27(14-17-5-2-1-3-6-17)15-20(19)32-24(22)26-21(25-23)10-9-16-7-4-8-18(13-16)28(30)31/h1-10,13,21,26H,11-12,14-15H2,(H,25,29)/b10-9-

Composition: C (64.56%), H (4.97%), N (12.55%), O (10.75%), S (7.18%)

Molar Mass: 446.53

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	446.141261758
Formal Charge	0
FSP3	0.21
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OAXGUCMUDYFMLK-KTKRTIGZNA-N
Lipinski's Rule of Five
Molar Refractivity	126.76
Topological Polar Surface Area	87.51
Polarizability	46.64
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00