ethyl 5-(3-methylthiophen-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

ethyl 5-(3-methylthiophen-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

Formula: C17H19N3O3S2

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=C(C)C=CS1

IUPAC: ethyl 5-(3-methylthiophen-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

InChI: InChI=1/C17H19N3O3S2/c1-3-23-17(22)20-6-4-10-11(8-20)25-16-12(10)15(21)18-14(19-16)13-9(2)5-7-24-13/h5,7,14,19H,3-4,6,8H2,1-2H3,(H,18,21)

Composition: C (54.09%), H (5.07%), N (11.13%), O (12.72%), S (16.99%)

Molar Mass: 377.48

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	377.086783832
Formal Charge	0
FSP3	0.41
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JOOOFAFZWCIICX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.08
Topological Polar Surface Area	70.67
Polarizability	36.42
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00