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4-[4-(1-methanesulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole

4-[4-(1-methanesulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole

CAS: 1233339-22-4

Formula: C21H24N4O3S

SMILES: CC1COCCN1C1=CC(=NC(=N1)C1=C2C=CNC2=CC=C1)C1(CC1)S(C)(=O)=O

IUPAC: 4-[4-(1-methanesulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole

InChI: InChI=1/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3

Composition: C (61.15%), H (5.86%), N (13.58%), O (11.64%), S (7.77%)

Molar Mass: 412.51

Atom Count: 53

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 412.156911823
Formal Charge 0
FSP3 0.43
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey SCGCBAAYLFTIJU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.02
Topological Polar Surface Area 88.18
Polarizability 45.13
Ring Count 5
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 1233339-22-4 $412.97-$1,166.79$412.97$412.97$812.82$812.82$1,166.79
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