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Chemical ID: 7675328
Chemical ID:
7675328
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C)c3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl
InChi [?]:
InChI=1/C25H20Cl2N6O/c1-15-23-21(11-22(30-24(23)32(2)31-15)17-5-7-18(26)8-6-17)25(34)29-20-9-3-16(4-10-20)13-33-14-19(27)12-28-33/h3-12,14H,13H2,1-2H3,(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,11,24,26,13,17,14,16,23,27,5,32,28,30,2,25,12,15,31,22,4,6,3,8,19,18,34,33,21,7,10,9,29,20/E:(3,4)(5,6)(7,8)(9,10)/rA:34nCCCCCCNCNNCCCCCCCClCONCCCCCCCNCCCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;d13;s14;d15;d12s16;s15;s4;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;d30;s31;s29d32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20Cl2N6O |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.949 |
Area: | 731.217 |
Solvation: | -4.33141 |
Coulombic: | -36.7131 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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