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Chemical ID: 7706539
Chemical ID:
7706539
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C22H16Cl2N4O3/c23-17-11-6-7-14(19(17)24)13-25-28-22(31)21(30)27-18-12-5-4-10-16(18)20(29)26-15-8-2-1-3-9-15/h1-13H,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,26,25,3,5,11,27,14,23,24,4,10,28,15,29,8,17,19,31,30,22,7,16,21,9,18,20/E:(2,3)(8,9)/rA:31nCCCCCCNCOCCCCCCNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16Cl2N4O3 |
All Atoms: | 47 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1972 |
Area: | 668.468 |
Solvation: | -4.51447 |
Coulombic: | -66.9794 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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