3-(4-tert-butylbenzoyl)-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]thiourea

3-(4-tert-butylbenzoyl)-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]thiourea

Formula: C27H27N3O3S

SMILES: CC1=C(C)C=C2N=C(OC2=C1)C1=CC=C(NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C=C1O

IUPAC: 3-(4-tert-butylbenzoyl)-1-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]thiourea

InChI: InChI=1S/C27H27N3O3S/c1-15-12-21-23(13-16(15)2)33-25(29-21)20-11-10-19(14-22(20)31)28-26(34)30-24(32)17-6-8-18(9-7-17)27(3,4)5/h6-14,31H,1-5H3,(H2,28,30,32,34)

Composition: C (68.48%), H (5.75%), N (8.87%), O (10.13%), S (6.77%)

Molar Mass: 473.59

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	473.177312915
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	CBSAHYSOCWCSLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	150.32
Topological Polar Surface Area	87.39
Polarizability	54.39
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00