4,6,7-trimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazoline

4,6,7-trimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazoline

Formula: C18H17N3O2S

SMILES: CC1=C(C)C=C2C(C)=NC(SCC3=CC=C(C=C3)[N+]([O-])=O)=NC2=C1

IUPAC: 4,6,7-trimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazoline

InChI: InChI=1S/C18H17N3O2S/c1-11-8-16-13(3)19-18(20-17(16)9-12(11)2)24-10-14-4-6-15(7-5-14)21(22)23/h4-9H,10H2,1-3H3

Composition: C (63.70%), H (5.05%), N (12.38%), O (9.43%), S (9.45%)

Molar Mass: 339.41

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	339.104147973
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LTDIXYZHOBMHDF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.16
Topological Polar Surface Area	68.92
Polarizability	37.71
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00