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Chemical ID: 7702618
Chemical ID:
7702618
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C24H22Cl2N2O3/c1-16-3-5-19(6-4-16)15-30-21-10-7-18(8-11-21)14-27-28-24(29)17(2)31-23-12-9-20(25)13-22(23)26/h3-14,17H,15H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,4,6,12,14,26,11,15,25,28,16,8,2,21,13,5,27,10,29,24,19,31,30,17,18,20,9,23/E:(3,4)(5,6)(7,8)(10,11)/rA:31cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22Cl2N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5225 |
Area: | 706.749 |
Solvation: | -7.14625 |
Coulombic: | -35.4562 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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