4-{11-tert-butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl benzoate

4-{11-tert-butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl benzoate

Formula: C28H30N2O4S

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

IUPAC: 4-{11-tert-butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl benzoate

InChI: InChI=1/C28H30N2O4S/c1-28(2,3)18-11-12-19-22(15-18)35-26-23(19)25(31)29-24(30-26)17-10-13-20(21(14-17)33-4)34-27(32)16-8-6-5-7-9-16/h5-10,13-14,18,24,30H,11-12,15H2,1-4H3,(H,29,31)

Composition: C (68.55%), H (6.16%), N (5.71%), O (13.04%), S (6.53%)

Molar Mass: 490.62

Atom Count: 65

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	490.192628628
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NUHARSAOPVLPPR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.73
Topological Polar Surface Area	76.66
Polarizability	52.18
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H30N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00