7-[2-(4-tert-butylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-4-one

7-[2-(4-tert-butylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-4-one

Formula: C21H23N3O2

SMILES: CC(C)(C)C1=CC=C(OCCN2C3=C(C=CC=C3)N3CC(=O)N=C23)C=C1

IUPAC: 7-[2-(4-tert-butylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-4-one

InChI: InChI=1S/C21H23N3O2/c1-21(2,3)15-8-10-16(11-9-15)26-13-12-23-17-6-4-5-7-18(17)24-14-19(25)22-20(23)24/h4-11H,12-14H2,1-3H3

Composition: C (72.18%), H (6.63%), N (12.03%), O (9.16%)

Molar Mass: 349.434

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	349.179026993
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IMMMCTYESOINSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.55
Topological Polar Surface Area	45.14
Polarizability	38.7
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00