Chemical ID: 5019780

c1ccc(cc1)N(CCO)c2nc(nc(n2)N(CCO)c3ccccc3)N(CCO)c4ccccc4
Chemical ID:
5019780
Name [?]:
2-[[4,6-bis(2-hydroxyethyl-phenyl-amino)-1,3,5-triazin-2-yl]-phenyl-amino]ethanol
SMILES [?]:
c1ccc(cc1)N(CCO)c2nc(nc(n2)N(CCO)c3ccccc3)N(CCO)c4ccccc4
InChi [?]:
InChI=1/C27H30N6O3/c34-19-16-31(22-10-4-1-5-11-22)25-28-26(32(17-20-35)23-12-6-2-7-13-23)30-27(29-25)33(18-21-36)24-14-8-3-9-15-24/h1-15,34-36H,16-21H2
InChi Info:
AuxInfo=1/0/N:1,24,34,2,6,23,25,33,35,3,5,22,26,32,36,8,18,28,9,19,29,4,21,31,11,15,13,16,12,14,7,17,27,10,20,30/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18)(19,20,21)(22,23,24)(25,26,27)(28,29,30)(31,32,33)(34,35,36)/rA:36nCCCCCCNCCOCNCNCNNCCOCCCCCCNCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;s17;s21;d22;s23;d24;d21s25;s13;s27;s28;s29;s27;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N6O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.9767
Area:680.847
Solvation:-6.04442
Coulombic:-92.1185
Bond Count [?]
All:39
Single:27
Double:12
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.566
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.28
LogP (Chemaxon):4.79

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Descriptor Annotations

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