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Chemical ID: 4964042
Chemical ID:
4964042
Name [?]:
N,N'-bis(2-diethylaminoethyl)-6,7-diphenyl-pteridine-2,4-diamine
SMILES [?]:
CCN(CC)CCNc1c2c(nc(c(n2)c3ccccc3)c4ccccc4)nc(n1)NCCN(CC)CC
InChi [?]:
InChI=1/C30H40N8/c1-5-37(6-2)21-19-31-28-27-29(36-30(35-28)32-20-22-38(7-3)8-4)34-26(24-17-13-10-14-18-24)25(33-27)23-15-11-9-12-16-23/h9-18H,5-8,19-22H2,1-4H3,(H2,31,32,34,35,36)
InChi Info:
AuxInfo=1/1/N:1,5,36,38,2,4,35,37,19,25,18,20,24,26,17,21,23,27,7,32,6,33,16,22,14,13,10,9,11,29,8,31,15,12,30,28,3,34/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)(17,18)/rA:38nCCNCCCCNCCCNCCNCCCCCCCCCCCCNCNNCCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s18;d19;d16s20;s13;s22;d23;s24;d25;d22s26;s11;d28;d9s29;s29;s31;s32;s33;s34;s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N8 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 18.0104 |
Area: | 827.644 |
Solvation: | -2.68069 |
Coulombic: | -62.8757 |
Bond Count [?]
All: | 41 |
Single: | 30 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 512.693 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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