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N-{5H-chromeno[4,3-d]pyrimidin-2-yl}-4-methylbenzamide

N-{5H-chromeno[4,3-d]pyrimidin-2-yl}-4-methylbenzamide

CAS: 866041-30-7

Formula: C19H15N3O2

SMILES: CC1=CC=C(C=C1)C(=O)NC1=NC2=C(COC3=C2C=CC=C3)C=N1

IUPAC: N-{5H-chromeno[4,3-d]pyrimidin-2-yl}-4-methylbenzamide

InChI: InChI=1S/C19H15N3O2/c1-12-6-8-13(9-7-12)18(23)22-19-20-10-14-11-24-16-5-3-2-4-15(16)17(14)21-19/h2-10H,11H2,1H3,(H,20,21,22,23)

Composition: C (71.91%), H (4.76%), N (13.24%), O (10.08%)

Molar Mass: 317.348

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 317.116426735
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XEHUIPWFZREHDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.03
Topological Polar Surface Area 64.11
Polarizability 35.67
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866041-30-7 $51.35-$86.31$51.35$63.37$86.31
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