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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide

Formula: C15H15N3O3S

SMILES: CC1=NC(SCC(=O)NC2=CC=C3OCCOC3=C2)=NC=C1

IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide

InChI: InChI=1S/C15H15N3O3S/c1-10-4-5-16-15(17-10)22-9-14(19)18-11-2-3-12-13(8-11)21-7-6-20-12/h2-5,8H,6-7,9H2,1H3,(H,18,19)

Composition: C (56.77%), H (4.76%), N (13.24%), O (15.12%), S (10.10%)

Molar Mass: 317.36

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 317.083412529
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SOTLANLIJRKOEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.49
Topological Polar Surface Area 73.34
Polarizability 32.19
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H15N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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