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

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

Formula: C18H20N2O2S

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

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

InChI: InChI=1/C18H20N2O2S/c1-2-10-3-8-13-14(9-10)23-18-15(13)17(22)19-16(20-18)11-4-6-12(21)7-5-11/h4-7,10,16,20-21H,2-3,8-9H2,1H3,(H,19,22)

Composition: C (65.83%), H (6.14%), N (8.53%), O (9.74%), S (9.76%)

Molar Mass: 328.43

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	328.124549066
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	ATHVFMNONXMGFT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	92.42
Topological Polar Surface Area	61.36
Polarizability	34.43
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00