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

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

Formula: C17H18ClN3O2S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Cl)=CC=C1O

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

InChI: InChI=1/C17H18ClN3O2S/c1-2-21-6-5-10-13(8-21)24-17-14(10)16(23)19-15(20-17)11-7-9(18)3-4-12(11)22/h3-4,7,15,20,22H,2,5-6,8H2,1H3,(H,19,23)

Composition: C (56.12%), H (4.99%), Cl (9.74%), N (11.55%), O (8.79%), S (8.81%)

Molar Mass: 363.86

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	363.0808257
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	UVZRJNYJZNOXHY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.04
Topological Polar Surface Area	64.6
Polarizability	36.1
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00