2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]acetohydrazide

2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]acetohydrazide

Formula: C20H16N4O5S

SMILES: O=C(CCN1C(=O)C2=C(C=CC=C2)C1=O)NNC(=O)CSC1=NC2=CC=CC=C2O1

IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]acetohydrazide

InChI: InChI=1S/C20H16N4O5S/c25-16(9-10-24-18(27)12-5-1-2-6-13(12)19(24)28)22-23-17(26)11-30-20-21-14-7-3-4-8-15(14)29-20/h1-8H,9-11H2,(H,22,25)(H,23,26)

Composition: C (56.60%), H (3.80%), N (13.20%), O (18.85%), S (7.55%)

Molar Mass: 424.43

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	424.084140805
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FBDXYKHYJGDRKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.23
Topological Polar Surface Area	121.61
Polarizability	41.99
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00