2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

Formula: C26H24ClN3O2S2

SMILES: CC1=CC=C(NC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2C2=CC=C(Cl)C=C2)C=C1C

IUPAC: 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

InChI: InChI=1S/C26H24ClN3O2S2/c1-15-7-10-18(13-16(15)2)28-22(31)14-33-26-29-24-23(20-5-3-4-6-21(20)34-24)25(32)30(26)19-11-8-17(27)9-12-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)

Composition: C (61.22%), H (4.74%), Cl (6.95%), N (8.24%), O (6.27%), S (12.57%)

Molar Mass: 510.07

Atom Count: 58

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	509.0998471
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VFVHKIXMBPHGQQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.07
Topological Polar Surface Area	61.77
Polarizability	52.89
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24ClN3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00