4-(3-methylphenyl)-5-[(2-phenylethyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-(3-methylphenyl)-5-[(2-phenylethyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C25H24N2OS2

SMILES: CC1=CC=CC(=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCCC1=CC=CC=C1

IUPAC: 4-(3-methylphenyl)-5-[(2-phenylethyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C25H24N2OS2/c1-17-8-7-11-19(16-17)27-24(28)22-20-12-5-6-13-21(20)30-23(22)26-25(27)29-15-14-18-9-3-2-4-10-18/h2-4,7-11,16H,5-6,12-15H2,1H3

Composition: C (69.41%), H (5.59%), N (6.48%), O (3.70%), S (14.82%)

Molar Mass: 432.6

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	432.133005749
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NUJQIJNOQJQPRJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.13
Topological Polar Surface Area	32.67
Polarizability	47.97
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H24N2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00