ethyl 4-{[(2Z)-6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

ethyl 4-{[(2Z)-6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

Formula: C31H31N3O7S

SMILES: CCOC(=O)C1=CC=C(C=C1)N=C1/SC(CC(=O)N1CCC1=CC=C(OC)C=C1)C(=O)NC1=CC=C(C=C1)C(=O)OC

IUPAC: ethyl 4-{[(2Z)-6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

InChI: InChI=1/C31H31N3O7S/c1-4-41-30(38)22-9-13-24(14-10-22)33-31-34(18-17-20-5-15-25(39-2)16-6-20)27(35)19-26(42-31)28(36)32-23-11-7-21(8-12-23)29(37)40-3/h5-16,26H,4,17-19H2,1-3H3,(H,32,36)/b33-31-

Composition: C (63.14%), H (5.30%), N (7.13%), O (18.99%), S (5.44%)

Molar Mass: 589.66

Atom Count: 73

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	589.188271524
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	QHWUZQLOAYKPEG-FPODKLOTNA-N
Lipinski's Rule of Five
Molar Refractivity	162.62
Topological Polar Surface Area	123.6
Polarizability	61.11
Ring Count	4
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H31N3O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00