(4E)-4-{[2-(benzyloxy)-5-chlorophenyl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4E)-4-{[2-(benzyloxy)-5-chlorophenyl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C23H15ClN2O2S

SMILES: ClC1=CC=C(OCC2=CC=CC=C2)C(C=C2SC3=NC4=CC=CC=C4N3C2=O)=C1

IUPAC: (4E)-4-{[2-(benzyloxy)-5-chlorophenyl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C23H15ClN2O2S/c24-17-10-11-20(28-14-15-6-2-1-3-7-15)16(12-17)13-21-22(27)26-19-9-5-4-8-18(19)25-23(26)29-21/h1-13H,14H2/b21-13+

Composition: C (65.95%), H (3.61%), Cl (8.46%), N (6.69%), O (7.64%), S (7.65%)

Molar Mass: 418.9

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	418.0542766
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HTZJSRAXIYYJSX-FYJGNVAPSA-N
Lipinski's Rule of Five
Molar Refractivity	116.62
Topological Polar Surface Area	44.12
Polarizability	45.9
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H15ClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00