N-[4-(thiophen-2-yl)pyrimidin-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

N-[4-(thiophen-2-yl)pyrimidin-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

CAS: 865660-12-4

Formula: C17H13N3O3S

SMILES: O=C(NC1=NC=CC(=N1)C1=CC=CS1)C1COC2=C(O1)C=CC=C2

IUPAC: N-[4-(thiophen-2-yl)pyrimidin-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

InChI: InChI=1/C17H13N3O3S/c21-16(14-10-22-12-4-1-2-5-13(12)23-14)20-17-18-8-7-11(19-17)15-6-3-9-24-15/h1-9,14H,10H2,(H,18,19,20,21)

Composition: C (60.17%), H (3.86%), N (12.38%), O (14.14%), S (9.45%)

Molar Mass: 339.37

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	339.067762465
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VOLWTBRWNJEMBO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.39
Topological Polar Surface Area	73.34
Polarizability	35.11
Ring Count	4
Rotatable Bond Count	3

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90%	<2 Days	865660-12-4		$51.35-$86.31$51.35$63.37$86.31