3-(3-methylbutanoyl)-1-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]thiourea

3-(3-methylbutanoyl)-1-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]thiourea

Formula: C23H21N3O2S

SMILES: CC(C)CC(=O)NC(=S)NC1=CC=C2OC(=NC2=C1)C1=CC2=CC=CC=C2C=C1

IUPAC: 3-(3-methylbutanoyl)-1-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]thiourea

InChI: InChI=1S/C23H21N3O2S/c1-14(2)11-21(27)26-23(29)24-18-9-10-20-19(13-18)25-22(28-20)17-8-7-15-5-3-4-6-16(15)12-17/h3-10,12-14H,11H2,1-2H3,(H2,24,26,27,29)

Composition: C (68.46%), H (5.25%), N (10.41%), O (7.93%), S (7.95%)

Molar Mass: 403.5

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	403.135448102
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	JLTQHOHOJIVASD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.15
Topological Polar Surface Area	67.16
Polarizability	48.55
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00