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

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

Formula: C18H21N3O3S

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

IUPAC: 11-ethyl-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/C18H21N3O3S/c1-3-21-7-6-11-14(9-21)25-18-15(11)17(23)19-16(20-18)10-4-5-12(22)13(8-10)24-2/h4-5,8,16,20,22H,3,6-7,9H2,1-2H3,(H,19,23)

Composition: C (60.15%), H (5.89%), N (11.69%), O (13.35%), S (8.92%)

Molar Mass: 359.44

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	359.130362722
Formal Charge	0
FSP3	0.39
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	KPOQDLOREQOALM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.7
Topological Polar Surface Area	73.83
Polarizability	36.74
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00