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

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

Formula: C18H20ClN3O3S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Cl)=CC(OC)=C1O

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

InChI: InChI=1/C18H20ClN3O3S/c1-3-22-5-4-10-13(8-22)26-18-14(10)17(24)20-16(21-18)11-6-9(19)7-12(25-2)15(11)23/h6-7,16,21,23H,3-5,8H2,1-2H3,(H,20,24)

Composition: C (54.89%), H (5.12%), Cl (9.00%), N (10.67%), O (12.19%), S (8.14%)

Molar Mass: 393.89

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	393.0913904
Formal Charge	0
FSP3	0.39
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	HOZUUFPYKKEUMS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.51
Topological Polar Surface Area	73.83
Polarizability	38.65
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00