N-{[(2,5-dimethylphenyl)carbamothioyl]amino}-3,4,5-triethoxybenzamide

N-{[(2,5-dimethylphenyl)carbamothioyl]amino}-3,4,5-triethoxybenzamide

Formula: C22H29N3O4S

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NNC(=S)NC1=CC(C)=CC=C1C

IUPAC: N-{[(2,5-dimethylphenyl)carbamothioyl]amino}-3,4,5-triethoxybenzamide

InChI: InChI=1S/C22H29N3O4S/c1-6-27-18-12-16(13-19(28-7-2)20(18)29-8-3)21(26)24-25-22(30)23-17-11-14(4)9-10-15(17)5/h9-13H,6-8H2,1-5H3,(H,24,26)(H2,23,25,30)

Composition: C (61.23%), H (6.77%), N (9.74%), O (14.83%), S (7.43%)

Molar Mass: 431.55

Atom Count: 59

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.1878776
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	ZKVYPYYJPIKKII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.84
Topological Polar Surface Area	80.85
Polarizability	46.91
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H29N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00