2-({3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)-N-phenylacetamide

2-({3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)-N-phenylacetamide

Formula: C20H22N4O2S2

SMILES: CCC1(C)CC2=C(CO1)SC1=NC(SCC(=O)NC3=CC=CC=C3)=NC(N)=C21

IUPAC: 2-({3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)-N-phenylacetamide

InChI: InChI=1/C20H22N4O2S2/c1-3-20(2)9-13-14(10-26-20)28-18-16(13)17(21)23-19(24-18)27-11-15(25)22-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,22,25)(H2,21,23,24)

Composition: C (57.95%), H (5.35%), N (13.52%), O (7.72%), S (15.47%)

Molar Mass: 414.54

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	414.118418312
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BYAQIKUQADRTDZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.49
Topological Polar Surface Area	90.13
Polarizability	43.68
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00