ethyl 4-{[(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

ethyl 4-{[(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

Formula: C28H24ClN3O6S

SMILES: CCOC(=O)C1=CC=C(C=C1)N=C1/SC(CC(=O)N1CC1=CC=C2OCOC2=C1)C(=O)NC1=CC=CC(Cl)=C1

IUPAC: ethyl 4-{[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

InChI: InChI=1/C28H24ClN3O6S/c1-2-36-27(35)18-7-9-20(10-8-18)31-28-32(15-17-6-11-22-23(12-17)38-16-37-22)25(33)14-24(39-28)26(34)30-21-5-3-4-19(29)13-21/h3-13,24H,2,14-16H2,1H3,(H,30,34)/b31-28-

Composition: C (59.42%), H (4.27%), Cl (6.26%), N (7.42%), O (16.96%), S (5.66%)

Molar Mass: 566.03

Atom Count: 63

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	565.1074344
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	QPKQNCFOXJVCML-PNOGMODKNA-N
Lipinski's Rule of Five
Molar Refractivity	149.95
Topological Polar Surface Area	106.53
Polarizability	56.69
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H24ClN3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00