5-(4-tert-butylphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(4-tert-butylphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C25H34N2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(C=C1)C(C)(C)C

IUPAC: 5-(4-tert-butylphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C25H34N2OS/c1-7-25(5,6)17-12-13-18-19(14-17)29-23-20(18)22(28)26-21(27-23)15-8-10-16(11-9-15)24(2,3)4/h8-11,17,21,27H,7,12-14H2,1-6H3,(H,26,28)

Composition: C (73.13%), H (8.35%), N (6.82%), O (3.90%), S (7.81%)

Molar Mass: 410.62

Atom Count: 63

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	410.239184897
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BSRUSMMDPNGWOD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	122.73
Topological Polar Surface Area	41.13
Polarizability	46.63
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H34N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00