4-(4-chlorophenyl)-N-phenyl-7-(prop-2-en-1-yl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

4-(4-chlorophenyl)-N-phenyl-7-(prop-2-en-1-yl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

Formula: C25H19ClN4S

SMILES: ClC1=CC=C(C=C1)C1=C(N2C(=N1)N(CC=C)C1=CC=CC=C21)C(=S)NC1=CC=CC=C1

IUPAC: 4-(4-chlorophenyl)-N-phenyl-7-(prop-2-en-1-yl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

InChI: InChI=1S/C25H19ClN4S/c1-2-16-29-20-10-6-7-11-21(20)30-23(24(31)27-19-8-4-3-5-9-19)22(28-25(29)30)17-12-14-18(26)15-13-17/h2-15H,1,16H2,(H,27,31)

Composition: C (67.79%), H (4.32%), Cl (8.00%), N (12.65%), S (7.24%)

Molar Mass: 442.97

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	442.1018955
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BWYSGPBOSPPESR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.49
Topological Polar Surface Area	34.26
Polarizability	52.72
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H19ClN4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00