(2Z)-2-(2H-1,3-benzodioxol-5-ylimino)-3-ethyl-N-[4-(hexyloxy)phenyl]-4-oxo-1,3-thiazinane-6-carboxamide

(2Z)-2-(2H-1,3-benzodioxol-5-ylimino)-3-ethyl-N-[4-(hexyloxy)phenyl]-4-oxo-1,3-thiazinane-6-carboxamide

Formula: C26H31N3O5S

SMILES: CCCCCCOC1=CC=C(NC(=O)C2CC(=O)N(CC)C(S2)=NC2=CC=C3OCOC3=C2)C=C1

IUPAC: (2Z)-2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-N-[4-(hexyloxy)phenyl]-4-oxo-1,3-thiazinane-6-carboxamide

InChI: InChI=1/C26H31N3O5S/c1-3-5-6-7-14-32-20-11-8-18(9-12-20)27-25(31)23-16-24(30)29(4-2)26(35-23)28-19-10-13-21-22(15-19)34-17-33-21/h8-13,15,23H,3-7,14,16-17H2,1-2H3,(H,27,31)/b28-26-

Composition: C (62.76%), H (6.28%), N (8.44%), O (16.08%), S (6.44%)

Molar Mass: 497.61

Atom Count: 66

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	497.198442284
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	QUWLXSBJMJFZJB-SGEDCAFJNA-N
Lipinski's Rule of Five
Molar Refractivity	138.04
Topological Polar Surface Area	89.46
Polarizability	52.49
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H31N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00