2',3',4,5-tetramethyl 6'-[(3,4-dichlorophenyl)carbamoyl]-5',5',8'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

2',3',4,5-tetramethyl 6'-[(3,4-dichlorophenyl)carbamoyl]-5',5',8'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Formula: C32H28Cl2N2O9S3

SMILES: COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2C2=C(C=C(C)C=C2)N(C(=O)NC2=CC=C(Cl)C(Cl)=C2)C1(C)C)C(=O)OC)C(=O)OC

IUPAC: 2',3',4,5-tetramethyl 6'-[(3,4-dichlorophenyl)carbamoyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

InChI: InChI=1S/C32H28Cl2N2O9S3/c1-14-8-10-16-19(12-14)36(30(41)35-15-9-11-17(33)18(34)13-15)31(2,3)25-20(16)32(21(26(37)42-4)22(46-25)27(38)43-5)47-23(28(39)44-6)24(48-32)29(40)45-7/h8-13H,1-7H3,(H,35,41)

Composition: C (51.13%), H (3.75%), Cl (9.43%), N (3.73%), O (19.16%), S (12.80%)

Molar Mass: 751.66

Atom Count: 76

Heavy Atom Count: 48

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	750.0333994
Formal Charge	0
FSP3	0.28
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GZVGDRJLKJJJPX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	190.89
Topological Polar Surface Area	137.54
Polarizability	72.38
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C32H28Cl2N2O9S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00