ethyl 4-[(2Z)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

ethyl 4-[(2Z)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

Formula: C23H25N3O4S

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

IUPAC: ethyl 4-[(2Z)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

InChI: InChI=1/C23H25N3O4S/c1-5-30-22(29)16-7-10-17(11-8-16)24-21(28)19-13-20(27)26(4)23(31-19)25-18-9-6-14(2)15(3)12-18/h6-12,19H,5,13H2,1-4H3,(H,24,28)/b25-23-

Composition: C (62.85%), H (5.73%), N (9.56%), O (14.56%), S (7.29%)

Molar Mass: 439.53

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	439.156577471
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OQFXPWWGOKBFJV-BZZOAKBMNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.84
Topological Polar Surface Area	88.07
Polarizability	46.25
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H25N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00