{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methyl 2-methylquinoline-4-carboxylate

{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methyl 2-methylquinoline-4-carboxylate

Formula: C24H24N2O5S

SMILES: CCOC(=O)C1=C(NC(=O)COC(=O)C2=CC(C)=NC3=CC=CC=C23)SC2=C1CCCC2

IUPAC: {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methyl 2-methylquinoline-4-carboxylate

InChI: InChI=1S/C24H24N2O5S/c1-3-30-24(29)21-16-9-5-7-11-19(16)32-22(21)26-20(27)13-31-23(28)17-12-14(2)25-18-10-6-4-8-15(17)18/h4,6,8,10,12H,3,5,7,9,11,13H2,1-2H3,(H,26,27)

Composition: C (63.70%), H (5.35%), N (6.19%), O (17.68%), S (7.08%)

Molar Mass: 452.53

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.140593055
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VRGIKMHAUUKKSB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.42
Topological Polar Surface Area	94.59
Polarizability	47.2
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H24N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00