(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide

(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide

Formula: C25H21N3O4S

SMILES: O=C(NC1=CC=CC=C1)C1CC(=O)N(CC2=CC=C3OCOC3=C2)C(S1)=NC1=CC=CC=C1

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

InChI: InChI=1/C25H21N3O4S/c29-23-14-22(24(30)26-18-7-3-1-4-8-18)33-25(27-19-9-5-2-6-10-19)28(23)15-17-11-12-20-21(13-17)32-16-31-20/h1-13,22H,14-16H2,(H,26,30)/b27-25-

Composition: C (65.35%), H (4.61%), N (9.14%), O (13.93%), S (6.98%)

Molar Mass: 459.52

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	459.125277342
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YVNIQSQLHFVMBN-RFBIWTDZNA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.37
Topological Polar Surface Area	80.23
Polarizability	48.51
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H21N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00