2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl 4-bromobenzoate

2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl 4-bromobenzoate

Formula: C25H23BrN2O4S

SMILES: COC1=CC(=CC=C1OC(=O)C1=CC=C(Br)C=C1)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

IUPAC: 2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl 4-bromobenzoate

InChI: InChI=1/C25H23BrN2O4S/c1-13-3-9-17-20(11-13)33-24-21(17)23(29)27-22(28-24)15-6-10-18(19(12-15)31-2)32-25(30)14-4-7-16(26)8-5-14/h4-8,10,12-13,22,28H,3,9,11H2,1-2H3,(H,27,29)

Composition: C (56.93%), H (4.40%), Br (15.15%), N (5.31%), O (12.13%), S (6.08%)

Molar Mass: 527.43

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	526.056191
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DMZCXOCZNSAQMA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	131.73
Topological Polar Surface Area	76.66
Polarizability	49.47
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23BrN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00