11-benzyl-5-[5-(2,3-dichlorophenyl)furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-benzyl-5-[5-(2,3-dichlorophenyl)furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C26H21Cl2N3O2S

SMILES: ClC1=C(Cl)C(=CC=C1)C1=CC=C(O1)C1NC2=C(C3=C(CN(CC4=CC=CC=C4)CC3)S2)C(=O)N1

IUPAC: 11-benzyl-5-[5-(2,3-dichlorophenyl)furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C26H21Cl2N3O2S/c27-18-8-4-7-16(23(18)28)19-9-10-20(33-19)24-29-25(32)22-17-11-12-31(13-15-5-2-1-3-6-15)14-21(17)34-26(22)30-24/h1-10,24,30H,11-14H2,(H,29,32)

Composition: C (61.18%), H (4.15%), Cl (13.89%), N (8.23%), O (6.27%), S (6.28%)

Molar Mass: 510.43

Atom Count: 55

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	509.0731535
Formal Charge	0
FSP3	0.19
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WQSUVSAQFPKSLU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.14
Topological Polar Surface Area	57.51
Polarizability	52.93
Ring Count	6
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H21Cl2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00