3-benzoyl-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

3-benzoyl-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

Formula: C23H19N3O2S

SMILES: CC1=C(C)C=C2N=C(OC2=C1)C1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1

IUPAC: 3-benzoyl-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

InChI: InChI=1S/C23H19N3O2S/c1-14-12-19-20(13-15(14)2)28-22(25-19)17-8-10-18(11-9-17)24-23(29)26-21(27)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,26,27,29)

Composition: C (68.81%), H (4.77%), N (10.47%), O (7.97%), S (7.99%)

Molar Mass: 401.48

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	401.119798038
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YNVSDZGUZMGFDK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.67
Topological Polar Surface Area	67.16
Polarizability	46.51
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00