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

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

Formula: C19H21N3O3S

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

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

InChI: InChI=1/C19H21N3O3S/c1-3-25-19(24)22-9-8-13-14(10-22)26-18-15(13)17(23)20-16(21-18)12-6-4-11(2)5-7-12/h4-7,16,21H,3,8-10H2,1-2H3,(H,20,23)

Composition: C (61.44%), H (5.70%), N (11.31%), O (12.92%), S (8.63%)

Molar Mass: 371.46

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	371.130362722
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LIZSWEPDYOETHF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.19
Topological Polar Surface Area	70.67
Polarizability	37.69
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00