ethyl 3-methyl-4-(phenylcarbamoyl)-5-[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamido]thiophene-2-carboxylate

ethyl 3-methyl-4-(phenylcarbamoyl)-5-[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamido]thiophene-2-carboxylate

Formula: C19H19N5O4S2

SMILES: CCOC(=O)C1=C(C)C(C(=O)NC2=CC=CC=C2)=C(NC(=O)CSC2=NNC=N2)S1

IUPAC: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamido]thiophene-2-carboxylate

InChI: InChI=1S/C19H19N5O4S2/c1-3-28-18(27)15-11(2)14(16(26)22-12-7-5-4-6-8-12)17(30-15)23-13(25)9-29-19-20-10-21-24-19/h4-8,10H,3,9H2,1-2H3,(H,22,26)(H,23,25)(H,20,21,24)

Composition: C (51.22%), H (4.30%), N (15.72%), O (14.36%), S (14.39%)

Molar Mass: 445.51

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	445.08784646
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	JQOBKDLLCPOGSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.53
Topological Polar Surface Area	126.07
Polarizability	43.25
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19N5O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00