N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(pyrimidin-2-ylsulfanyl)acetamide

N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(pyrimidin-2-ylsulfanyl)acetamide

Formula: C14H13N3O3S

SMILES: O=C(CSC1=NC=CC=N1)NCC1=CC=C2OCOC2=C1

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(pyrimidin-2-ylsulfanyl)acetamide

InChI: InChI=1S/C14H13N3O3S/c18-13(8-21-14-15-4-1-5-16-14)17-7-10-2-3-11-12(6-10)20-9-19-11/h1-6H,7-9H2,(H,17,18)

Composition: C (55.43%), H (4.32%), N (13.85%), O (15.82%), S (10.57%)

Molar Mass: 303.34

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.067762465
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	TZUFLEWGVKQXPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.76
Topological Polar Surface Area	73.34
Polarizability	30.44
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00