8-[(4-tert-butylphenyl)methyl]-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9-tetraene

8-[(4-tert-butylphenyl)methyl]-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9-tetraene

Formula: C21H25N3

SMILES: CC(C)(C)C1=CC=C(CN2C3=NCCCN3C3=C2C=CC=C3)C=C1

IUPAC: 8-[(4-tert-butylphenyl)methyl]-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9-tetraene

InChI: InChI=1S/C21H25N3/c1-21(2,3)17-11-9-16(10-12-17)15-24-19-8-5-4-7-18(19)23-14-6-13-22-20(23)24/h4-5,7-12H,6,13-15H2,1-3H3

Composition: C (78.96%), H (7.89%), N (13.15%)

Molar Mass: 319.452

Atom Count: 49

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.204847817
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MMFQCCJFVLDKCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.59
Topological Polar Surface Area	18.84
Polarizability	37.99
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25N3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00