5-(2-ethoxynaphthalen-1-yl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(2-ethoxynaphthalen-1-yl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C23H25N3O2S

SMILES: CCOC1=C(C2NC3=C(C4=C(CN(CC)CC4)S3)C(=O)N2)C2=CC=CC=C2C=C1

IUPAC: 5-(2-ethoxynaphthalen-1-yl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C23H25N3O2S/c1-3-26-12-11-16-18(13-26)29-23-20(16)22(27)24-21(25-23)19-15-8-6-5-7-14(15)9-10-17(19)28-4-2/h5-10,21,25H,3-4,11-13H2,1-2H3,(H,24,27)

Composition: C (67.79%), H (6.18%), N (10.31%), O (7.85%), S (7.87%)

Molar Mass: 407.53

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	407.166748231
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SOWBQPIMAGQQEH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.92
Topological Polar Surface Area	53.6
Polarizability	45.44
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H25N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00