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Chemical ID: 7674485
Chemical ID:
7674485
Name [?]:
None
SMILES [?]:
Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccn(n4)Cc5ccccc5)c(n1)C6CC6
InChi [?]:
InChI=1/C24H24N6O/c1-29-23-21(22(28-29)17-9-10-17)18(13-19(25-23)16-7-8-16)24(31)26-20-11-12-30(27-20)14-15-5-3-2-4-6-15/h2-6,11-13,16-17H,7-10,14H2,1H3,(H,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,10,11,30,31,16,17,6,20,21,9,29,5,7,15,4,27,3,12,8,14,19,28,2,18,13/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCNCCCCCNCCCCONCCCNNCCCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9s10;s5;d12;s12;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;s4;s2d27;s27;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N6O |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5813 |
Area: | 649.94 |
Solvation: | -3.66726 |
Coulombic: | -36.8336 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.88 |
LogP (Chemaxon): | None |
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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