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3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol

3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol

CAS: 371935-74-9

Formula: C19H16N4O3

SMILES: OC1=CC(=CC=C1)C1=NC2=C(OC3=C2C=CC=N3)C(=N1)N1CCOCC1

IUPAC: 3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol

InChI: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2

Composition: C (65.51%), H (4.63%), N (16.08%), O (13.78%)

Molar Mass: 348.362

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 348.122240391
Formal Charge 0
FSP3 0.21
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey TUVCWJQQGGETHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.52
Topological Polar Surface Area 84.51
Polarizability 38.24
Ring Count 5
Rotatable Bond Count 2

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