2-{[4-(4-ethoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

2-{[4-(4-ethoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

Formula: C27H27N3O4S2

SMILES: CCOC1=CC=C(C=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC(=O)NC1=CC=C(OC)C=C1

IUPAC: 2-{[4-(4-ethoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

InChI: InChI=1S/C27H27N3O4S2/c1-3-34-20-14-10-18(11-15-20)30-26(32)24-21-6-4-5-7-22(21)36-25(24)29-27(30)35-16-23(31)28-17-8-12-19(33-2)13-9-17/h8-15H,3-7,16H2,1-2H3,(H,28,31)

Composition: C (62.17%), H (5.22%), N (8.06%), O (12.27%), S (12.29%)

Molar Mass: 521.65

Atom Count: 63

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	521.144298709
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HQJKHVLUBOZUSX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.85
Topological Polar Surface Area	80.23
Polarizability	54.37
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00