12,12-dimethyl-7-phenyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),5,10(15)-trien-8-one

12,12-dimethyl-7-phenyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),5,10(15)-trien-8-one

Formula: C18H16N4O2S2

SMILES: CC1(C)CC2=C(CO1)SC1=C2C(=O)N(C2=NNC(=S)N12)C1=CC=CC=C1

IUPAC: 12,12-dimethyl-7-phenyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),5,10(15)-trien-8-one

InChI: InChI=1S/C18H16N4O2S2/c1-18(2)8-11-12(9-24-18)26-15-13(11)14(23)21(10-6-4-3-5-7-10)16-19-20-17(25)22(15)16/h3-7H,8-9H2,1-2H3,(H,20,25)

Composition: C (56.23%), H (4.19%), N (14.57%), O (8.32%), S (16.68%)

Molar Mass: 384.47

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	384.071468119
Formal Charge	0
FSP3	0.28
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HYNDOAABMGLQSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.34
Topological Polar Surface Area	57.17
Polarizability	39.38
Ring Count	5
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00