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Chemical ID: 7686471
Chemical ID:
7686471
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl
InChi [?]:
InChI=1/C24H25ClN6O/c1-14(2)31-23-22(15(3)29-31)20(10-21(28-23)17-6-7-17)24(32)27-19-8-4-16(5-9-19)12-30-13-18(25)11-26-30/h4-5,8-11,13-14,17H,6-7,12H2,1-3H3,(H,27,32)
InChi Info:
AuxInfo=1/1/N:12,13,1,22,24,15,16,21,25,5,30,26,28,11,2,23,14,29,20,4,6,3,8,17,32,31,19,7,10,27,9,18/E:(1,2)(4,5)(6,7)(8,9)/rA:32nCCCCCCNCNNCCCCCCCONCCCCCCCNCCCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;d28;s29;s27d30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25ClN6O |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.5067 |
Area: | 698.64 |
Solvation: | -3.95931 |
Coulombic: | -35.5357 |
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: | 4.77 |
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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