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N2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-N4-(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

N2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-N4-(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

CAS: 1807988-47-1

Formula: C26H23FN8O

SMILES: FC1=CC=C(NC2=NC(=NC(NC3=CC=C(C=C3)C3=NC4=CC=CC=C4N3)=N2)N2CCOCC2)C=C1

IUPAC: N2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-N4-(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

InChI: InChI=1S/C26H23FN8O/c27-18-7-11-20(12-8-18)29-25-32-24(33-26(34-25)35-13-15-36-16-14-35)28-19-9-5-17(6-10-19)23-30-21-3-1-2-4-22(21)31-23/h1-12H,13-16H2,(H,30,31)(H2,28,29,32,33,34)

Composition: C (64.72%), H (4.80%), F (3.94%), N (23.22%), O (3.32%)

Molar Mass: 482.523

Atom Count: 59

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 482.197885556
Formal Charge 0
FSP3 0.15
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey XGEDDGLPNSLBFE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 147.06
Topological Polar Surface Area 103.88
Polarizability 51.8
Ring Count 6
Rotatable Bond Count 6

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