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

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

Formula: C23H23N3O3S

SMILES: COC1=CC(=CC=C1O)C1NC2=C(C3=C(CN(CC4=CC=CC=C4)CC3)S2)C(=O)N1

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

InChI: InChI=1/C23H23N3O3S/c1-29-18-11-15(7-8-17(18)27)21-24-22(28)20-16-9-10-26(12-14-5-3-2-4-6-14)13-19(16)30-23(20)25-21/h2-8,11,21,25,27H,9-10,12-13H2,1H3,(H,24,28)

Composition: C (65.54%), H (5.50%), N (9.97%), O (11.39%), S (7.61%)

Molar Mass: 421.52

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	421.146012787
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	PUAMEWTWECUPOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.57
Topological Polar Surface Area	73.83
Polarizability	44.46
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00