ethyl 2-({3-amino-11-tert-butyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

ethyl 2-({3-amino-11-tert-butyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

Formula: C18H25N3O2S2

SMILES: CCOC(=O)CSC1=NC(N)=C2C3=C(CC(CC3)C(C)(C)C)SC2=N1

IUPAC: ethyl 2-({3-amino-11-tert-butyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

InChI: InChI=1/C18H25N3O2S2/c1-5-23-13(22)9-24-17-20-15(19)14-11-7-6-10(18(2,3)4)8-12(11)25-16(14)21-17/h10H,5-9H2,1-4H3,(H2,19,20,21)

Composition: C (56.96%), H (6.64%), N (11.07%), O (8.43%), S (16.89%)

Molar Mass: 379.54

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	379.138819405
Formal Charge	0
FSP3	0.61
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LIOMJEVIJTZYGU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.08
Topological Polar Surface Area	78.1
Polarizability	40.25
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H25N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00