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

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

Formula: C27H28N2O6S

SMILES: COC1=CC(=CC(OC)=C1OC)C(=O)OC1=CC=C(C=C1)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C27H28N2O6S/c1-14-5-10-18-21(11-14)36-26-22(18)25(30)28-24(29-26)15-6-8-17(9-7-15)35-27(31)16-12-19(32-2)23(34-4)20(13-16)33-3/h6-9,12-14,24,29H,5,10-11H2,1-4H3,(H,28,30)

Composition: C (63.76%), H (5.55%), N (5.51%), O (18.87%), S (6.30%)

Molar Mass: 508.59

Atom Count: 64

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	508.166807804
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	XNHPMJYRYGSZSA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.04
Topological Polar Surface Area	95.12
Polarizability	51.74
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00