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Chemical ID: 4235232
Chemical ID:
4235232
Name [?]:
N,N,N',N'-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILES [?]:
CN(C)c1nc(nc(n1)Oc2ccc(nn2)OCCOc3ccccc3)N(C)C
InChi [?]:
InChI=1/C19H23N7O3/c1-25(2)17-20-18(26(3)4)22-19(21-17)29-16-11-10-15(23-24-16)28-13-12-27-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,24,23,25,22,26,13,12,19,18,21,14,11,4,6,8,5,9,7,15,16,2,27,20,17,10/E:(1,2,3,4)(6,7)(8,9)(17,18)(21,22)(25,26)/rA:29nCNCCNCNCNOCCCCNNOCCOCCCCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s6;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N7O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7739 |
Area: | 612.966 |
Solvation: | -4.55019 |
Coulombic: | -65.0121 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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