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

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

Formula: C24H25N3O3S

SMILES: COC1=CC=C(C2NC3=C(C4=C(CN(CC5=CC=CC=C5)CC4)S3)C(=O)N2)C(OC)=C1

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

InChI: InChI=1/C24H25N3O3S/c1-29-16-8-9-17(19(12-16)30-2)22-25-23(28)21-18-10-11-27(13-15-6-4-3-5-7-15)14-20(18)31-24(21)26-22/h3-9,12,22,26H,10-11,13-14H2,1-2H3,(H,25,28)

Composition: C (66.19%), H (5.79%), N (9.65%), O (11.02%), S (7.36%)

Molar Mass: 435.54

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	435.161662851
Formal Charge	0
FSP3	0.29
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XIPOGDPRIONHQC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.05
Topological Polar Surface Area	62.83
Polarizability	46.37
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H25N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00