2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]acetamide

Formula: C18H13N3O4S2

SMILES: O=C(CSC1=NC2=CC=CC=C2O1)NC(=O)CSC1=NC2=CC=CC=C2O1

IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]acetamide

InChI: InChI=1S/C18H13N3O4S2/c22-15(9-26-17-19-11-5-1-3-7-13(11)24-17)21-16(23)10-27-18-20-12-6-2-4-8-14(12)25-18/h1-8H,9-10H2,(H,21,22,23)

Composition: C (54.13%), H (3.28%), N (10.52%), O (16.02%), S (16.05%)

Molar Mass: 399.44

Atom Count: 40

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	399.034748259
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XMJWFLCCKFBNQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.12
Topological Polar Surface Area	98.23
Polarizability	41.73
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H13N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00