11-ethyl-5-(3-iodo-4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-ethyl-5-(3-iodo-4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H21IN2O2S

SMILES: CCC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC)C(I)=C1

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

InChI: InChI=1/C19H21IN2O2S/c1-3-10-4-6-12-15(8-10)25-19-16(12)18(23)21-17(22-19)11-5-7-14(24-2)13(20)9-11/h5,7,9-10,17,22H,3-4,6,8H2,1-2H3,(H,21,23)

Composition: C (48.73%), H (4.52%), I (27.10%), N (5.98%), O (6.83%), S (6.85%)

Molar Mass: 468.35

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	468.03684
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KFFKAGRGWWJOLS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	110.27
Topological Polar Surface Area	50.36
Polarizability	41.49
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21IN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00