N-[3-({[(3-butoxyphenyl)formamido]methanethioyl}amino)phenyl]-2-methylbenzamide

N-[3-({[(3-butoxyphenyl)formamido]methanethioyl}amino)phenyl]-2-methylbenzamide

Formula: C26H27N3O3S

SMILES: CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=CC(NC(=O)C2=CC=CC=C2C)=C1

IUPAC: N-[3-({[(3-butoxyphenyl)formamido]methanethioyl}amino)phenyl]-2-methylbenzamide

InChI: InChI=1S/C26H27N3O3S/c1-3-4-15-32-22-13-7-10-19(16-22)24(30)29-26(33)28-21-12-8-11-20(17-21)27-25(31)23-14-6-5-9-18(23)2/h5-14,16-17H,3-4,15H2,1-2H3,(H,27,31)(H2,28,29,30,33)

Composition: C (67.66%), H (5.90%), N (9.10%), O (10.40%), S (6.95%)

Molar Mass: 461.58

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.177312915
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	GBGCWNLSRNPCCO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.74
Topological Polar Surface Area	79.46
Polarizability	51.59
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00