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

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

Formula: C17H18N4O4S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(O)=CC=C1[N+]([O-])=O

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

InChI: InChI=1/C17H18N4O4S/c1-2-20-6-5-10-13(8-20)26-17-14(10)16(23)18-15(19-17)11-7-9(22)3-4-12(11)21(24)25/h3-4,7,15,19,22H,2,5-6,8H2,1H3,(H,18,23)

Composition: C (54.53%), H (4.85%), N (14.96%), O (17.09%), S (8.56%)

Molar Mass: 374.42

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	374.10487625
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	SVVGNZYPGCJDLE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.56
Topological Polar Surface Area	107.74
Polarizability	36.16
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00