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

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

Formula: C17H17Cl2N3OS

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(Cl)=C1Cl

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

InChI: InChI=1/C17H17Cl2N3OS/c1-2-22-7-6-9-12(8-22)24-17-13(9)16(23)20-15(21-17)10-4-3-5-11(18)14(10)19/h3-5,15,21H,2,6-8H2,1H3,(H,20,23)

Composition: C (53.41%), H (4.48%), Cl (18.55%), N (10.99%), O (4.18%), S (8.39%)

Molar Mass: 382.3

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	381.0469388
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HCUXDHFLLAEOKA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.87
Topological Polar Surface Area	44.37
Polarizability	37.42
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17Cl2N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00