3-(3-methyl-4-nitrobenzoyl)-1-[4-(pyridin-4-ylmethyl)phenyl]thiourea

3-(3-methyl-4-nitrobenzoyl)-1-[4-(pyridin-4-ylmethyl)phenyl]thiourea

Formula: C21H18N4O3S

SMILES: CC1=CC(=CC=C1[N+]([O-])=O)C(=O)NC(=S)NC1=CC=C(CC2=CC=NC=C2)C=C1

IUPAC: 3-(3-methyl-4-nitrobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea

InChI: InChI=1S/C21H18N4O3S/c1-14-12-17(4-7-19(14)25(27)28)20(26)24-21(29)23-18-5-2-15(3-6-18)13-16-8-10-22-11-9-16/h2-12H,13H2,1H3,(H2,23,24,26,29)

Composition: C (62.06%), H (4.46%), N (13.78%), O (11.81%), S (7.89%)

Molar Mass: 406.46

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	406.10996163
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MJVYCVQYLWCBSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.77
Topological Polar Surface Area	97.16
Polarizability	43.25
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00