N,N-dicyclohexyl-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N,N-dicyclohexyl-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C23H32N4O2S

SMILES: COC1=CC=C(C=C1)C1=NC(SCC(=O)N(C2CCCCC2)C2CCCCC2)=NN1

IUPAC: N,N-dicyclohexyl-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C23H32N4O2S/c1-29-20-14-12-17(13-15-20)22-24-23(26-25-22)30-16-21(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3,(H,24,25,26)

Composition: C (64.46%), H (7.53%), N (13.07%), O (7.47%), S (7.48%)

Molar Mass: 428.6

Atom Count: 62

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.22459746
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XBZVVAAFUTUJBF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.07
Topological Polar Surface Area	71.11
Polarizability	47.65
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H32N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00